1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine

C38H48N4 — CID 89223668

IUPAC1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESC=C(NCC1(N(C)C)CCCCC1)c1ccc(C=C2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)cc1
InChIInChI=1S/C38H48N4/c1-5-42-36-12-8-7-11-34(36)35-26-32(15-18-37(35)42)27-41-23-19-31(20-24-41)25-30-13-16-33(17-14-30)29(2)39-28-38(40(3)4)21-9-6-10-22-38/h7-8,11-18,25-26,39H,2,5-6,9-10,19-24,27-28H2,1,3-4H3
InChIKeyKEPXYEDYNCHEGX-UHFFFAOYSA-N
MW560.83 g/mol
LogP8.32
Rot. Bonds9

About 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine

1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 89223668) has the molecular formula C38H48N4 and a molecular weight of 560.83 g/mol. Its IUPAC name is 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID89223668
Molecular FormulaC38H48N4
Molecular Weight560.83 g/mol
Exact Mass560.39
IUPAC Name1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESC=C(NCC1(N(C)C)CCCCC1)c1ccc(C=C2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)cc1
InChIInChI=1S/C38H48N4/c1-5-42-36-12-8-7-11-34(36)35-26-32(15-18-37(35)42)27-41-23-19-31(20-24-41)25-30-13-16-33(17-14-30)29(2)39-28-38(40(3)4)21-9-6-10-22-38/h7-8,11-18,25-26,39H,2,5-6,9-10,19-24,27-28H2,1,3-4H3
InChIKeyKEPXYEDYNCHEGX-UHFFFAOYSA-N
XLogP8.32
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.83
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid
CID 59506617
N-[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-yl]methyl]phenyl]ethenyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 89223669
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide
CID 38104347
9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56899200
8-[(9-ethylcarbazol-3-yl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
CID 71687450
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol
CID 57400177
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine (CID 89223668) is 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine is C=C(NCC1(N(C)C)CCCCC1)c1ccc(C=C2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)cc1.
What is the InChIKey of 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is KEPXYEDYNCHEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N4/c1-5-42-36-12-8-7-11-34(36)35-26-32(15-18-37(35)42)27-41-23-19-31(20-24-41)25-30-13-16-33(17-14-30)29(2)39-28-38(40(3)4)21-9-6-10-22-38/h7-8,11-18,25-26,39H,2,5-6,9-10,19-24,27-28H2,1,3-4H3.
What are the key properties of 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 560.83 g/mol, XLogP of 8.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]phenyl]ethenylamino]methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 89223668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).