N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine

C26H31N5 — CID 24953651

IUPACN,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(c2[nH]c3ccccc3c2CCn2ccnn2)CC1
InChIInChI=1S/C26H31N5/c1-30(2)26(21-8-4-3-5-9-21)15-12-20(13-16-26)25-23(14-18-31-19-17-27-29-31)22-10-6-7-11-24(22)28-25/h3-11,17,19-20,28H,12-16,18H2,1-2H3
InChIKeyROXPYUXLBFNODN-UHFFFAOYSA-N
MW413.57 g/mol
LogP5.12
Rot. Bonds6

About N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine

N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine (PubChem CID 24953651) has the molecular formula C26H31N5 and a molecular weight of 413.57 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine
PubChem CID24953651
Molecular FormulaC26H31N5
Molecular Weight413.57 g/mol
Exact Mass413.26
IUPAC NameN,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(c2[nH]c3ccccc3c2CCn2ccnn2)CC1
InChIInChI=1S/C26H31N5/c1-30(2)26(21-8-4-3-5-9-21)15-12-20(13-16-26)25-23(14-18-31-19-17-27-29-31)22-10-6-7-11-24(22)28-25/h3-11,17,19-20,28H,12-16,18H2,1-2H3
InChIKeyROXPYUXLBFNODN-UHFFFAOYSA-N
XLogP5.12
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride
CID 24953997
N,N-dimethyl-4-[3-(2-morpholin-4-ylethyl)-1H-indol-2-yl]-1-phenylcyclohexan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 24952949
1-butyl-4-[5-fluoro-3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]-N,N-dimethylcyclohexan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 24955077
1-benzyl-4-[5-fluoro-3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 57475057
N,N-dimethyl-1-phenyl-4-[3-[2-(1,2,4-triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohex-3-en-1-amine
CID 57475171
2,2-dimethyl-1-phenyl-4-(3-propyl-1H-indol-2-yl)cyclohexan-1-amine
CID 68844897
1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine
CID 66782954
N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine
CID 10292753
N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine
CID 57475082
4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 68633204
N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine
CID 44513166
4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol
CID 68629968

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine (CID 24953651) is N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine is CN(C)C1(c2ccccc2)CCC(c2[nH]c3ccccc3c2CCn2ccnn2)CC1.
What is the InChIKey of N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine?
The InChIKey is ROXPYUXLBFNODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5/c1-30(2)26(21-8-4-3-5-9-21)15-12-20(13-16-26)25-23(14-18-31-19-17-27-29-31)22-10-6-7-11-24(22)28-25/h3-11,17,19-20,28H,12-16,18H2,1-2H3.
What are the key properties of N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine?
N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine has a molecular weight of 413.57 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 24953651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).