N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C17H22N2 — CID 65333592

IUPACN-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1ccc2c3c([nH]c2c1)C(NC1CCCC1)CCC3
InChIInChI=1S/C17H22N2/c1-2-7-12(6-1)18-16-11-5-9-14-13-8-3-4-10-15(13)19-17(14)16/h3-4,8,10,12,16,18-19H,1-2,5-7,9,11H2
InChIKeyWDUQGEOKYLJZMH-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.08
Rot. Bonds2

About N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333592) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333592
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1ccc2c3c([nH]c2c1)C(NC1CCCC1)CCC3
InChIInChI=1S/C17H22N2/c1-2-7-12(6-1)18-16-11-5-9-14-13-8-3-4-10-15(13)19-17(14)16/h3-4,8,10,12,16,18-19H,1-2,5-7,9,11H2
InChIKeyWDUQGEOKYLJZMH-UHFFFAOYSA-N
XLogP4.08
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 753921
N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333996
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 59014607
2,3,4,9-tetrahydro-1H-carbazole-1-thiol
CID 138599371
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone
CID 59014623
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
1-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568385
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333592) is N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is c1ccc2c3c([nH]c2c1)C(NC1CCCC1)CCC3.
What is the InChIKey of N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is WDUQGEOKYLJZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-7-12(6-1)18-16-11-5-9-14-13-8-3-4-10-15(13)19-17(14)16/h3-4,8,10,12,16,18-19H,1-2,5-7,9,11H2.
What are the key properties of N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).