4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile

C15H31N3O — CID 55144282

IUPAC4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
SMILESCCC(CC)N(CCOC)CCC(C#N)NC(C)C
InChIInChI=1S/C15H31N3O/c1-6-15(7-2)18(10-11-19-5)9-8-14(12-16)17-13(3)4/h13-15,17H,6-11H2,1-5H3
InChIKeyVIHYEIZYKMXCSO-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.40
Rot. Bonds11

About 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile

4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile (PubChem CID 55144282) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
PubChem CID55144282
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
SMILESCCC(CC)N(CCOC)CCC(C#N)NC(C)C
InChIInChI=1S/C15H31N3O/c1-6-15(7-2)18(10-11-19-5)9-8-14(12-16)17-13(3)4/h13-15,17H,6-11H2,1-5H3
InChIKeyVIHYEIZYKMXCSO-UHFFFAOYSA-N
XLogP2.40
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
CID 79483822
4-methoxy-2-(propan-2-ylamino)butanenitrile
CID 63028987
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63054663
4-(3-methoxypropoxy)-2-(propan-2-ylamino)butanenitrile
CID 63028578
N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
CID 81079088
4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63028721
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile
CID 63030258
N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine
CID 63657246
4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile
CID 102983485
4-[cyclopentyl(ethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63030045
4-pentoxy-2-(propan-2-ylamino)butanenitrile
CID 63029610
4-heptoxy-2-(propan-2-ylamino)butanenitrile
CID 63029359

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile (CID 55144282) is 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile is CCC(CC)N(CCOC)CCC(C#N)NC(C)C.
What is the InChIKey of 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile?
The InChIKey is VIHYEIZYKMXCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-15(7-2)18(10-11-19-5)9-8-14(12-16)17-13(3)4/h13-15,17H,6-11H2,1-5H3.
What are the key properties of 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile?
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile has a molecular weight of 269.43 g/mol, XLogP of 2.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 55144282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).