3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile

C14H27N3 — CID 63914354

IUPAC3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile
SMILESCCCCN(C)CC(C#N)(NCCC)C1CC1
InChIInChI=1S/C14H27N3/c1-4-6-10-17(3)12-14(11-15,13-7-8-13)16-9-5-2/h13,16H,4-10,12H2,1-3H3
InChIKeyRCYYNZUQAZGASJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds9

About 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile

3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile (PubChem CID 63914354) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile
PubChem CID63914354
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile
SMILESCCCCN(C)CC(C#N)(NCCC)C1CC1
InChIInChI=1S/C14H27N3/c1-4-6-10-17(3)12-14(11-15,13-7-8-13)16-9-5-2/h13,16H,4-10,12H2,1-3H3
InChIKeyRCYYNZUQAZGASJ-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile
CID 63907930
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 63907711
2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile
CID 63913922
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
CID 63914201
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
CID 63914238
3-[butan-2-yl(butyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63914008
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803666
2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(propylamino)propanenitrile
CID 64728826
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63913144
2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63907051

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile?
The IUPAC name of 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile (CID 63914354) is 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile?
The canonical SMILES for 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile is CCCCN(C)CC(C#N)(NCCC)C1CC1.
What is the InChIKey of 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile?
The InChIKey is RCYYNZUQAZGASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-6-10-17(3)12-14(11-15,13-7-8-13)16-9-5-2/h13,16H,4-10,12H2,1-3H3.
What are the key properties of 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile?
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile is sourced from PubChem (CID 63914354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).