2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile

C17H35N3 — CID 64727295

IUPAC2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCCCCN(C(C)C)C(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C17H35N3/c1-8-9-10-11-20(15(4)5)16(6)12-17(7,13-18)19-14(2)3/h14-16,19H,8-12H2,1-7H3
InChIKeyCDYAYJFKXLALGE-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.95
Rot. Bonds10

About 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile

2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64727295) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
PubChem CID64727295
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCCCCN(C(C)C)C(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C17H35N3/c1-8-9-10-11-20(15(4)5)16(6)12-17(7,13-18)19-14(2)3/h14-16,19H,8-12H2,1-7H3
InChIKeyCDYAYJFKXLALGE-UHFFFAOYSA-N
XLogP3.95
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.95
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-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile
CID 64727095
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64698958
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261
2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 64726084
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanenitrile
CID 64726076
2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827745
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727286
2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile
CID 64726500
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
CID 64710483
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955
2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile
CID 64727068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile (CID 64727295) is 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile is CCCCCN(C(C)C)C(C)CC(C)(C#N)NC(C)C.
What is the InChIKey of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is CDYAYJFKXLALGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-8-9-10-11-20(15(4)5)16(6)12-17(7,13-18)19-14(2)3/h14-16,19H,8-12H2,1-7H3.
What are the key properties of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 281.49 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64727295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).