4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride

C15H21ClN4 — CID 175219493

IUPAC4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2CC(N)C3(CCNCC3)C2)cc1
InChIInChI=1S/C15H20N4.ClH/c16-9-12-1-3-13(4-2-12)19-10-14(17)15(11-19)5-7-18-8-6-15;/h1-4,14,18H,5-8,10-11,17H2;1H
InChIKeyVLVOWDAONAKGRT-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.50
Rot. Bonds1

About 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride

4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride (PubChem CID 175219493) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride
PubChem CID175219493
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2CC(N)C3(CCNCC3)C2)cc1
InChIInChI=1S/C15H20N4.ClH/c16-9-12-1-3-13(4-2-12)19-10-14(17)15(11-19)5-7-18-8-6-15;/h1-4,14,18H,5-8,10-11,17H2;1H
InChIKeyVLVOWDAONAKGRT-UHFFFAOYSA-N
XLogP1.50
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride 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-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride?
The IUPAC name of 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride (CID 175219493) is 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride.
What is the SMILES notation for 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride?
The canonical SMILES for 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride is Cl.N#Cc1ccc(N2CC(N)C3(CCNCC3)C2)cc1.
What is the InChIKey of 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride?
The InChIKey is VLVOWDAONAKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.ClH/c16-9-12-1-3-13(4-2-12)19-10-14(17)15(11-19)5-7-18-8-6-15;/h1-4,14,18H,5-8,10-11,17H2;1H.
What are the key properties of 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride?
4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile;hydrochloride is sourced from PubChem (CID 175219493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).