3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one

C30H45N5O — CID 70686590

IUPAC3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one
SMILESCCN(CCC(=O)N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1)C1CCCCC1
InChIInChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)
InChIKeyVHCMEFWOVWZTPM-UHFFFAOYSA-N
MW491.72 g/mol
LogP4.71
Rot. Bonds9

About 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one

3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one (PubChem CID 70686590) has the molecular formula C30H45N5O and a molecular weight of 491.72 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one
PubChem CID70686590
Molecular FormulaC30H45N5O
Molecular Weight491.72 g/mol
Exact Mass491.36
IUPAC Name3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one
SMILESCCN(CCC(=O)N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1)C1CCCCC1
InChIInChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)
InChIKeyVHCMEFWOVWZTPM-UHFFFAOYSA-N
XLogP4.71
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.72
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol
CID 67618555
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 54768920
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
CID 10959176
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one (CID 70686590) is 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one is CCN(CCC(=O)N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is VHCMEFWOVWZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32).
What are the key properties of 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one?
3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 491.72 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]-1-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 70686590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).