3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine

C23H39N5 — CID 129135560

IUPAC3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine
SMILESCN1CCN(C[C@@H]2CC=C(C3=CNC(N)C([C@H]4CC=C(N)CC4)C3)CC2)CC1
InChIInChI=1S/C23H39N5/c1-27-10-12-28(13-11-27)16-17-2-4-18(5-3-17)20-14-22(23(25)26-15-20)19-6-8-21(24)9-7-19/h4,8,15,17,19,22-23,26H,2-3,5-7,9-14,16,24-25H2,1H3/t17-,19+,22?,23?/m1/s1
InChIKeyDIKVBORFVVJQBR-OMMZEQHOSA-N
MW385.60 g/mol
LogP2.38
Rot. Bonds4

About 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine

3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine (PubChem CID 129135560) has the molecular formula C23H39N5 and a molecular weight of 385.60 g/mol. Its IUPAC name is 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine
PubChem CID129135560
Molecular FormulaC23H39N5
Molecular Weight385.60 g/mol
Exact Mass385.32
IUPAC Name3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine
SMILESCN1CCN(C[C@@H]2CC=C(C3=CNC(N)C([C@H]4CC=C(N)CC4)C3)CC2)CC1
InChIInChI=1S/C23H39N5/c1-27-10-12-28(13-11-27)16-17-2-4-18(5-3-17)20-14-22(23(25)26-15-20)19-6-8-21(24)9-7-19/h4,8,15,17,19,22-23,26H,2-3,5-7,9-14,16,24-25H2,1H3/t17-,19+,22?,23?/m1/s1
InChIKeyDIKVBORFVVJQBR-OMMZEQHOSA-N
XLogP2.38
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine with MolForge

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Related Compounds

1-[6-Fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 177362813
3-[3-[[[(2R)-1-[4-(4-chlorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-amine
CID 58457378
6-[4-[Cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine
CID 71019280
2-[4-[(1E)-1-[6-[1-[4-[(E)-1-aminobut-1-en-2-yl]cyclohexa-1,5-dien-1-yl]-2-[[(2E)-1-cyclohex-2-en-1-ylpenta-2,4-dien-2-yl]amino]ethyl]cyclohex-2-en-1-ylidene]ethyl]cyclohexa-1,3-dien-1-yl]-6-ethylheptane-1,7-diamine
CID 88933751
6-Ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine
CID 89105849
4-cyclohexa-1,5-dien-1-yl-7-[(Z)-1-cyclohexa-2,4-dien-1-ylbut-1-enyl]-1,4,4a,5,6,8a-hexahydroquinolin-8-amine
CID 89604076
4-cyclohexa-1,5-dien-1-yl-7-[(Z)-1-cyclohexa-2,4-dien-1-yl-3-methylbut-1-enyl]-2-methyl-1,4,4a,5,6,8a-hexahydroquinolin-8-amine
CID 89604081
(2S)-2-[(2R)-2-(dimethylamino)-1,2,3,4-tetrahydropyridin-5-yl]-N,N-dimethyl-1,2,3,4,4a,5-hexahydroquinolin-6-amine
CID 89789336
1-[Cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine
CID 90179393
1-[cyclohexa-1,5-dien-1-yl-bis[(1R)-cyclohex-2-en-1-yl]methyl]piperazine
CID 132036590
N-[(4E,6Z,10E,12R,16S)-9-(2-aminoprop-2-enyl)-13-ethenyl-8-ethyl-4,10,12,14,16-pentamethyl-3,20,22-trimethylidene-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]-N',N'-dimethylethane-1,2-diamine
CID 138526171
5-cyclohexyl-N-(2-cyclohexylethyl)-2-methylidene-1-propylpyridin-3-amine
CID 139313527

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine?
The IUPAC name of 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine (CID 129135560) is 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine.
What is the SMILES notation for 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine?
The canonical SMILES for 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine is CN1CCN(C[C@@H]2CC=C(C3=CNC(N)C([C@H]4CC=C(N)CC4)C3)CC2)CC1.
What is the InChIKey of 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine?
The InChIKey is DIKVBORFVVJQBR-OMMZEQHOSA-N. The full InChI is InChI=1S/C23H39N5/c1-27-10-12-28(13-11-27)16-17-2-4-18(5-3-17)20-14-22(23(25)26-15-20)19-6-8-21(24)9-7-19/h4,8,15,17,19,22-23,26H,2-3,5-7,9-14,16,24-25H2,1H3/t17-,19+,22?,23?/m1/s1.
What are the key properties of 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine?
3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine has a molecular weight of 385.60 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-4-aminocyclohex-3-en-1-yl]-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]-1,2,3,4-tetrahydropyridin-2-amine is sourced from PubChem (CID 129135560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).