1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile

C12H22N2 — CID 115242561

IUPAC1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCC(C)CCCN(C)CC1(C#N)CC1
InChIInChI=1S/C12H22N2/c1-11(2)5-4-8-14(3)10-12(9-13)6-7-12/h11H,4-8,10H2,1-3H3
InChIKeyANZYBACJTSJAFJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.66
Rot. Bonds6

About 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile

1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242561) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242561
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCC(C)CCCN(C)CC1(C#N)CC1
InChIInChI=1S/C12H22N2/c1-11(2)5-4-8-14(3)10-12(9-13)6-7-12/h11H,4-8,10H2,1-3H3
InChIKeyANZYBACJTSJAFJ-UHFFFAOYSA-N
XLogP2.66
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242046
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
1-(4-methylpentyl)cyclobutane-1-carbonitrile
CID 83168144
3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile
CID 115254673
1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242434
methyl 1-[[methyl(4-methylpentyl)amino]methyl]cyclobutane-1-carboxylate
CID 115247378
1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile
CID 117039628
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile
CID 83168273
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N-iodo-N,4-dimethylpentan-1-amine
CID 147099385
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242577

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242561) is 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile is CC(C)CCCN(C)CC1(C#N)CC1.
What is the InChIKey of 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is ANZYBACJTSJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)5-4-8-14(3)10-12(9-13)6-7-12/h11H,4-8,10H2,1-3H3.
What are the key properties of 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).