1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile

C9H16N2 — CID 115242046

IUPAC1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCCCN(C)CC1(C#N)CC1
InChIInChI=1S/C9H16N2/c1-3-6-11(2)8-9(7-10)4-5-9/h3-6,8H2,1-2H3
InChIKeyGSBGZZOHWWXUIK-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds4

About 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile

1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242046) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242046
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCCCN(C)CC1(C#N)CC1
InChIInChI=1S/C9H16N2/c1-3-6-11(2)8-9(7-10)4-5-9/h3-6,8H2,1-2H3
InChIKeyGSBGZZOHWWXUIK-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Diethylamino)methyl]cyclopropanecarbonitrile
CID 20031339
2-[[Ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile
CID 21336414
4-(Diethylamino)-2-methylbutanenitrile
CID 56617331
3-[3,3-Dimethylbutyl(methyl)amino]propanenitrile
CID 60684407
4-(Dimethylamino)-2,2-dimethylbutanenitrile
CID 65252047
2-[1-[(Dimethylamino)methyl]cyclopropyl]acetonitrile
CID 65494447
1-[(Dimethylamino)methyl]cyclopropane-1-carbonitrile
CID 82111163
1-[(4-Methylpiperazin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 82111489
4-[Ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
1-[[Ethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242045
1-[[Methyl(propan-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242049
1-[(3,3-Dimethylpyrrolidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 122667588

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242046) is 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile is CCCN(C)CC1(C#N)CC1.
What is the InChIKey of 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is GSBGZZOHWWXUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-6-11(2)8-9(7-10)4-5-9/h3-6,8H2,1-2H3.
What are the key properties of 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).