(3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile

C17H17N3 — CID 171260153

IUPAC(3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile
SMILESCCn1c2ccccc2c2cc([C@@H](N)CC#N)ccc21
InChIInChI=1S/C17H17N3/c1-2-20-16-6-4-3-5-13(16)14-11-12(7-8-17(14)20)15(19)9-10-18/h3-8,11,15H,2,9,19H2,1H3/t15-/m0/s1
InChIKeyRRUWFOTUOVULJU-HNNXBMFYSA-N
MW263.34 g/mol
LogP3.73
Rot. Bonds3

About (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile

(3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile (PubChem CID 171260153) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile.

Molecular Properties

Compound Name(3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile
PubChem CID171260153
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile
SMILESCCn1c2ccccc2c2cc([C@@H](N)CC#N)ccc21
InChIInChI=1S/C17H17N3/c1-2-20-16-6-4-3-5-13(16)14-11-12(7-8-17(14)20)15(19)9-10-18/h3-8,11,15H,2,9,19H2,1H3/t15-/m0/s1
InChIKeyRRUWFOTUOVULJU-HNNXBMFYSA-N
XLogP3.73
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(9-ethylcarbazol-3-yl)-2-fluoroethanamine;hydrochloride
CID 171232651
(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine
CID 171232656
(1R)-1-(9-ethylcarbazol-3-yl)pentane-1,5-diamine
CID 171213041
(R)-cyclopropyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213067
3-butan-2-yl-9-ethylcarbazole
CID 23520664
(R)-cyclopentyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213069
3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
CID 170829191
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
CID 14093933
(1S,2R)-2-amino-1-cyclopropyl-2-(9-ethylcarbazol-3-yl)ethanol;hydrochloride
CID 171264882
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376
1-(9-ethylcarbazol-3-yl)propane-1,2,3-triol
CID 170819012
(R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine
CID 171250725

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile?
The IUPAC name of (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile (CID 171260153) is (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile.
What is the SMILES notation for (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile?
The canonical SMILES for (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile is CCn1c2ccccc2c2cc([C@@H](N)CC#N)ccc21.
What is the InChIKey of (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile?
The InChIKey is RRUWFOTUOVULJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-20-16-6-4-3-5-13(16)14-11-12(7-8-17(14)20)15(19)9-10-18/h3-8,11,15H,2,9,19H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile?
(3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile has a molecular weight of 263.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile is sourced from PubChem (CID 171260153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).