trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine

C14H29N3 — CID 134438039

IUPACtrans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)N[C@H]1CCCC[C@@H]1N1CCN(C)CC1
InChIInChI=1S/C14H29N3/c1-12(2)15-13-6-4-5-7-14(13)17-10-8-16(3)9-11-17/h12-15H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyMOCYKBRCNWSBAW-KBPBESRZSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds3

About trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine

trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 134438039) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID134438039
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Nametrans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)N[C@H]1CCCC[C@@H]1N1CCN(C)CC1
InChIInChI=1S/C14H29N3/c1-12(2)15-13-6-4-5-7-14(13)17-10-8-16(3)9-11-17/h12-15H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyMOCYKBRCNWSBAW-KBPBESRZSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 13447994
cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 129365578
4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
CID 67476033
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852806
N-(1-cyclohexylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783420
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine
CID 62774800
N-(1-pyrrolidin-1-ylpropan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853044
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694255

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine (CID 134438039) is trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine is CC(C)N[C@H]1CCCC[C@@H]1N1CCN(C)CC1.
What is the InChIKey of trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is MOCYKBRCNWSBAW-KBPBESRZSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2)15-13-6-4-5-7-14(13)17-10-8-16(3)9-11-17/h12-15H,4-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine?
trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 134438039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).