1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile

C9H16N2 — CID 116957964

IUPAC1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile
SMILESCCCC(NC)C1(C#N)CC1
InChIInChI=1S/C9H16N2/c1-3-4-8(11-2)9(7-10)5-6-9/h8,11H,3-6H2,1-2H3
InChIKeySBBKCEIUXRNBLZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds4

About 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile

1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile (PubChem CID 116957964) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile
PubChem CID116957964
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile
SMILESCCCC(NC)C1(C#N)CC1
InChIInChI=1S/C9H16N2/c1-3-4-8(11-2)9(7-10)5-6-9/h8,11H,3-6H2,1-2H3
InChIKeySBBKCEIUXRNBLZ-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
CID 116958622
1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958094
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
1-(1-hydroxyheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79132594
N-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 115833048
1-(1-methylcyclopropyl)butylhydrazine
CID 105253275
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide
CID 62045712
4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
CID 103725573
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
(2S)-2-hydroxypentanenitrile
CID 12548639
1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958660

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile (CID 116957964) is 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile is CCCC(NC)C1(C#N)CC1.
What is the InChIKey of 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile?
The InChIKey is SBBKCEIUXRNBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-8(11-2)9(7-10)5-6-9/h8,11H,3-6H2,1-2H3.
What are the key properties of 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile?
1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)butyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116957964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).