N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine

C25H31N3 — CID 10292753

IUPACN,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(N2CCc3c([nH]c4ccccc34)C2)CC1
InChIInChI=1S/C25H31N3/c1-27(2)25(19-8-4-3-5-9-19)15-12-20(13-16-25)28-17-14-22-21-10-6-7-11-23(21)26-24(22)18-28/h3-11,20,26H,12-18H2,1-2H3
InChIKeyYRWHVSGOTAHSKV-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.93
Rot. Bonds3

About N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine

N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine (PubChem CID 10292753) has the molecular formula C25H31N3 and a molecular weight of 373.54 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine
PubChem CID10292753
Molecular FormulaC25H31N3
Molecular Weight373.54 g/mol
Exact Mass373.25
IUPAC NameN,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(N2CCc3c([nH]c4ccccc34)C2)CC1
InChIInChI=1S/C25H31N3/c1-27(2)25(19-8-4-3-5-9-19)15-12-20(13-16-25)28-17-14-22-21-10-6-7-11-23(21)26-24(22)18-28/h3-11,20,26H,12-18H2,1-2H3
InChIKeyYRWHVSGOTAHSKV-UHFFFAOYSA-N
XLogP4.93
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-[1'-(dimethylamino)-1'-phenylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-cyclohexane]-2-yl]methanone
CID 59803763
(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 168939672
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
(3R)-1-phenyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 30465890
N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide
CID 130265518
3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride
CID 24953997
(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
CID 102084649
(8S)-6-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
CID 129386314
4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 10458949
1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
CID 68895646
(3R)-1-benzyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 38054888
[1'-(dimethylamino)-1'-phenylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-cyclohexane]-2-yl]-(furan-2-yl)methanone
CID 59803789

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine (CID 10292753) is N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine is CN(C)C1(c2ccccc2)CCC(N2CCc3c([nH]c4ccccc34)C2)CC1.
What is the InChIKey of N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine?
The InChIKey is YRWHVSGOTAHSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3/c1-27(2)25(19-8-4-3-5-9-19)15-12-20(13-16-25)28-17-14-22-21-10-6-7-11-23(21)26-24(22)18-28/h3-11,20,26H,12-18H2,1-2H3.
What are the key properties of N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine?
N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine has a molecular weight of 373.54 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 10292753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).