4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile

C17H24N2 — CID 95172612

IUPAC4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile
SMILESCCCN(CCCC#N)[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C17H24N2/c1-2-12-19(13-6-5-11-18)17-10-9-15-7-3-4-8-16(15)14-17/h3-4,7-8,17H,2,5-6,9-10,12-14H2,1H3/t17-/m1/s1
InChIKeyTXCNXNFFLWPECX-QGZVFWFLSA-N
MW256.39 g/mol
LogP3.56
Rot. Bonds6

About 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile

4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile (PubChem CID 95172612) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile.

Molecular Properties

Compound Name4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile
PubChem CID95172612
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile
SMILESCCCN(CCCC#N)[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C17H24N2/c1-2-12-19(13-6-5-11-18)17-10-9-15-7-3-4-8-16(15)14-17/h3-4,7-8,17H,2,5-6,9-10,12-14H2,1H3/t17-/m1/s1
InChIKeyTXCNXNFFLWPECX-QGZVFWFLSA-N
XLogP3.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile?
The IUPAC name of 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile (CID 95172612) is 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile.
What is the SMILES notation for 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile?
The canonical SMILES for 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile is CCCN(CCCC#N)[C@@H]1CCc2ccccc2C1.
What is the InChIKey of 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile?
The InChIKey is TXCNXNFFLWPECX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-12-19(13-6-5-11-18)17-10-9-15-7-3-4-8-16(15)14-17/h3-4,7-8,17H,2,5-6,9-10,12-14H2,1H3/t17-/m1/s1.
What are the key properties of 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile?
4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile has a molecular weight of 256.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile is sourced from PubChem (CID 95172612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).