9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride

C18H23Cl2N3 — CID 134281116

IUPAC9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2c3ccc(N)cc3n(CC3CCCC3)c2c1
InChIInChI=1S/C18H21N3.2ClH/c19-13-5-7-15-16-8-6-14(20)10-18(16)21(17(15)9-13)11-12-3-1-2-4-12;;/h5-10,12H,1-4,11,19-20H2;2*1H
InChIKeyHZWPWLQAQHHALQ-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.99
Rot. Bonds2

About 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride

9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride (PubChem CID 134281116) has the molecular formula C18H23Cl2N3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride.

Molecular Properties

Compound Name9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride
PubChem CID134281116
Molecular FormulaC18H23Cl2N3
Molecular Weight352.31 g/mol
Exact Mass351.13
IUPAC Name9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2c3ccc(N)cc3n(CC3CCCC3)c2c1
InChIInChI=1S/C18H21N3.2ClH/c19-13-5-7-15-16-8-6-14(20)10-18(16)21(17(15)9-13)11-12-3-1-2-4-12;;/h5-10,12H,1-4,11,19-20H2;2*1H
InChIKeyHZWPWLQAQHHALQ-UHFFFAOYSA-N
XLogP4.99
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride?
The IUPAC name of 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride (CID 134281116) is 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride.
What is the SMILES notation for 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride?
The canonical SMILES for 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride is Cl.Cl.Nc1ccc2c3ccc(N)cc3n(CC3CCCC3)c2c1.
What is the InChIKey of 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride?
The InChIKey is HZWPWLQAQHHALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3.2ClH/c19-13-5-7-15-16-8-6-14(20)10-18(16)21(17(15)9-13)11-12-3-1-2-4-12;;/h5-10,12H,1-4,11,19-20H2;2*1H.
What are the key properties of 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride?
9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopentylmethyl)carbazole-2,7-diamine;dihydrochloride is sourced from PubChem (CID 134281116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).