3-[cyclopropyl(pentan-3-yl)amino]propanenitrile

C11H20N2 — CID 112733986

IUPAC3-[cyclopropyl(pentan-3-yl)amino]propanenitrile
SMILESCCC(CC)N(CCC#N)C1CC1
InChIInChI=1S/C11H20N2/c1-3-10(4-2)13(9-5-8-12)11-6-7-11/h10-11H,3-7,9H2,1-2H3
InChIKeyHNYPWIBGYUGLBD-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.55
Rot. Bonds6

About 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile

3-[cyclopropyl(pentan-3-yl)amino]propanenitrile (PubChem CID 112733986) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(pentan-3-yl)amino]propanenitrile
PubChem CID112733986
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-[cyclopropyl(pentan-3-yl)amino]propanenitrile
SMILESCCC(CC)N(CCC#N)C1CC1
InChIInChI=1S/C11H20N2/c1-3-10(4-2)13(9-5-8-12)11-6-7-11/h10-11H,3-7,9H2,1-2H3
InChIKeyHNYPWIBGYUGLBD-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile
CID 78974209
3-[[4-(methylamino)cyclohexyl]-propan-2-ylamino]propanenitrile
CID 114763078
3-[piperidin-4-yl(propyl)amino]pentanenitrile
CID 60805985
2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide
CID 54982242
2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol
CID 64775079
3-[(2-amino-1-thiophen-2-ylbutyl)-cyclopropylamino]propanenitrile
CID 55021870
(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
CID 61157435
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384
3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide
CID 79409545
3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile
CID 63619038
(2S)-2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54997515

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile (CID 112733986) is 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile is CCC(CC)N(CCC#N)C1CC1.
What is the InChIKey of 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile?
The InChIKey is HNYPWIBGYUGLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-10(4-2)13(9-5-8-12)11-6-7-11/h10-11H,3-7,9H2,1-2H3.
What are the key properties of 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile?
3-[cyclopropyl(pentan-3-yl)amino]propanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(pentan-3-yl)amino]propanenitrile is sourced from PubChem (CID 112733986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).