N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C18H19N3 — CID 65333441

IUPACN-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1cncc(CNC2CCCc3c2[nH]c2ccccc32)c1
InChIInChI=1S/C18H19N3/c1-2-8-16-14(6-1)15-7-3-9-17(18(15)21-16)20-12-13-5-4-10-19-11-13/h1-2,4-6,8,10-11,17,20-21H,3,7,9,12H2
InChIKeyCJLIAEWJXHGIFV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.73
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333441) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333441
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1cncc(CNC2CCCc3c2[nH]c2ccccc32)c1
InChIInChI=1S/C18H19N3/c1-2-8-16-14(6-1)15-7-3-9-17(18(15)21-16)20-12-13-5-4-10-19-11-13/h1-2,4-6,8,10-11,17,20-21H,3,7,9,12H2
InChIKeyCJLIAEWJXHGIFV-UHFFFAOYSA-N
XLogP3.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333601
(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 1381328
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 11337242
N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 176892760
N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 44583602
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol
CID 114756055
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
N'-ethyl-N'-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334005
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
3-pyridin-3-yl-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-pyrazole-5-carboxamide
CID 97496745

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333441) is N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is c1cncc(CNC2CCCc3c2[nH]c2ccccc32)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is CJLIAEWJXHGIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-8-16-14(6-1)15-7-3-9-17(18(15)21-16)20-12-13-5-4-10-19-11-13/h1-2,4-6,8,10-11,17,20-21H,3,7,9,12H2.
What are the key properties of N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).