2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile

C18H33N3 — CID 78977480

IUPAC2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile
SMILESCC(C)CCN(CCCCC(C)(C#N)NC1CC1)C1CC1
InChIInChI=1S/C18H33N3/c1-15(2)10-13-21(17-8-9-17)12-5-4-11-18(3,14-19)20-16-6-7-16/h15-17,20H,4-13H2,1-3H3
InChIKeyVOENULOHDDECSQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.70
Rot. Bonds11

About 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile

2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile (PubChem CID 78977480) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile
PubChem CID78977480
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile
SMILESCC(C)CCN(CCCCC(C)(C#N)NC1CC1)C1CC1
InChIInChI=1S/C18H33N3/c1-15(2)10-13-21(17-8-9-17)12-5-4-11-18(3,14-19)20-16-6-7-16/h15-17,20H,4-13H2,1-3H3
InChIKeyVOENULOHDDECSQ-UHFFFAOYSA-N
XLogP3.70
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
CID 64520439
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 78977422
2-(cyclopentylamino)-2,5-dimethylhexanenitrile
CID 61002466
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 64522812
methyl 2-amino-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanoate
CID 78977512
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 63965795
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
CID 79005181
2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile
CID 63698921
methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile?
The IUPAC name of 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile (CID 78977480) is 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile is CC(C)CCN(CCCCC(C)(C#N)NC1CC1)C1CC1.
What is the InChIKey of 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile?
The InChIKey is VOENULOHDDECSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-15(2)10-13-21(17-8-9-17)12-5-4-11-18(3,14-19)20-16-6-7-16/h15-17,20H,4-13H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile?
2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile has a molecular weight of 291.48 g/mol, XLogP of 3.70, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile is sourced from PubChem (CID 78977480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).