6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile

C17H31N3 — CID 64522812

IUPAC6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
SMILESCC(C)NC(C)(C#N)CCCCN(CC1CC1)C1CC1
InChIInChI=1S/C17H31N3/c1-14(2)19-17(3,13-18)10-4-5-11-20(16-8-9-16)12-15-6-7-15/h14-16,19H,4-12H2,1-3H3
InChIKeySKFKUZVFMLYKLO-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.31
Rot. Bonds10

About 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile

6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile (PubChem CID 64522812) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile.

Molecular Properties

Compound Name6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
PubChem CID64522812
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
SMILESCC(C)NC(C)(C#N)CCCCN(CC1CC1)C1CC1
InChIInChI=1S/C17H31N3/c1-14(2)19-17(3,13-18)10-4-5-11-20(16-8-9-16)12-15-6-7-15/h14-16,19H,4-12H2,1-3H3
InChIKeySKFKUZVFMLYKLO-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.31
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

6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62860671
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
CID 64520439
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
CID 62546459
4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)butanenitrile
CID 64522425
2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile
CID 78977480
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 64522437
5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806317
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
CID 64521644
5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63115357
6-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 79184283
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803222

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile?
The IUPAC name of 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile (CID 64522812) is 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile.
What is the SMILES notation for 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile?
The canonical SMILES for 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile is CC(C)NC(C)(C#N)CCCCN(CC1CC1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile?
The InChIKey is SKFKUZVFMLYKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14(2)19-17(3,13-18)10-4-5-11-20(16-8-9-16)12-15-6-7-15/h14-16,19H,4-12H2,1-3H3.
What are the key properties of 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile?
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile has a molecular weight of 277.46 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile is sourced from PubChem (CID 64522812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).