N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine

C17H19N3 — CID 44580516

IUPACN-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine
SMILESc1ccc2c(c1)[nH]c1ccnc(NC3CCCCC3)c12
InChIInChI=1S/C17H19N3/c1-2-6-12(7-3-1)19-17-16-13-8-4-5-9-14(13)20-15(16)10-11-18-17/h4-5,8-12,20H,1-3,6-7H2,(H,18,19)
InChIKeyKQCOOFQMYJSORJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.46
Rot. Bonds2

About N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine

N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine (PubChem CID 44580516) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine
PubChem CID44580516
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine
SMILESc1ccc2c(c1)[nH]c1ccnc(NC3CCCCC3)c12
InChIInChI=1S/C17H19N3/c1-2-6-12(7-3-1)19-17-16-13-8-4-5-9-14(13)20-15(16)10-11-18-17/h4-5,8-12,20H,1-3,6-7H2,(H,18,19)
InChIKeyKQCOOFQMYJSORJ-UHFFFAOYSA-N
XLogP4.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-11H-indolo[3,2-c]quinolin-6-amine
CID 102288226
N-cyclohexyl-2-phenyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 129316282
N-cyclohexyl-3-(furan-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 68781111
N-cyclohexyl-3-pyridin-3-yl-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 59618963
N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine
CID 12704865
N-cyclohexylfuro[3,2-c]pyridin-4-amine
CID 103702450
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine
CID 110432349
N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 46912838
6H-azepino[4,3-b]indol-1-one
CID 150838998
4-bromo-9H-pyrido[2,3-b]indole
CID 90389488

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine?
The IUPAC name of N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine (CID 44580516) is N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine.
What is the SMILES notation for N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine?
The canonical SMILES for N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine is c1ccc2c(c1)[nH]c1ccnc(NC3CCCCC3)c12.
What is the InChIKey of N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine?
The InChIKey is KQCOOFQMYJSORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-6-12(7-3-1)19-17-16-13-8-4-5-9-14(13)20-15(16)10-11-18-17/h4-5,8-12,20H,1-3,6-7H2,(H,18,19).
What are the key properties of N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine?
N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine has a molecular weight of 265.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine is sourced from PubChem (CID 44580516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).