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

C17H35N3 — CID 64727095

IUPAC2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile
SMILESCCCCCN(C(C)C)C(C)CC(C)(C#N)NCCC
InChIInChI=1S/C17H35N3/c1-7-9-10-12-20(15(3)4)16(5)13-17(6,14-18)19-11-8-2/h15-16,19H,7-13H2,1-6H3
InChIKeyOGMHGMDUBUORDW-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.95
Rot. Bonds11

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

2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile (PubChem CID 64727095) 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-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile
PubChem CID64727095
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile
SMILESCCCCCN(C(C)C)C(C)CC(C)(C#N)NCCC
InChIInChI=1S/C17H35N3/c1-7-9-10-12-20(15(3)4)16(5)13-17(6,14-18)19-11-8-2/h15-16,19H,7-13H2,1-6H3
InChIKeyOGMHGMDUBUORDW-UHFFFAOYSA-N
XLogP3.95
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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-(propan-2-ylamino)pentanenitrile
CID 64727295
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
CID 64710483
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64726523
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanenitrile
CID 64726076
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64727667
2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827745
6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 82960130
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 107401005
2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile
CID 64726500
2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
CID 61005955
2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
CID 64726379
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile (CID 64727095) is 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile is CCCCCN(C(C)C)C(C)CC(C)(C#N)NCCC.
What is the InChIKey of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile?
The InChIKey is OGMHGMDUBUORDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-7-9-10-12-20(15(3)4)16(5)13-17(6,14-18)19-11-8-2/h15-16,19H,7-13H2,1-6H3.
What are the key properties of 2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile?
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile has a molecular weight of 281.49 g/mol, XLogP of 3.95, 11 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-(propylamino)pentanenitrile is sourced from PubChem (CID 64727095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).