1-(propylamino)cyclopropane-1-carbonitrile

C7H12N2 — CID 103439401

IUPAC1-(propylamino)cyclopropane-1-carbonitrile
SMILESCCCNC1(C#N)CC1
InChIInChI=1S/C7H12N2/c1-2-5-9-7(6-8)3-4-7/h9H,2-5H2,1H3
InChIKeySUYZRBXUMHUCKJ-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.04
Rot. Bonds3

About 1-(propylamino)cyclopropane-1-carbonitrile

1-(propylamino)cyclopropane-1-carbonitrile (PubChem CID 103439401) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(propylamino)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(propylamino)cyclopropane-1-carbonitrile
PubChem CID103439401
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(propylamino)cyclopropane-1-carbonitrile
SMILESCCCNC1(C#N)CC1
InChIInChI=1S/C7H12N2/c1-2-5-9-7(6-8)3-4-7/h9H,2-5H2,1H3
InChIKeySUYZRBXUMHUCKJ-UHFFFAOYSA-N
XLogP1.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(propylamino)azepane-4-carbonitrile
CID 65075051
1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
CID 62977512
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
1-(2-methoxyethylamino)cyclopropane-1-carbonitrile
CID 103439453
1-(2-azidoethylamino)cyclopropane-1-carbonitrile
CID 103439456
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64758428
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
3-butan-2-ylsulfanyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 79650293
4,4-difluoro-1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile
CID 164659287
1-(2-azidoethylamino)-4-propylcyclohexane-1-carbonitrile
CID 66189787
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 103537832

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(propylamino)cyclopropane-1-carbonitrile (CID 103439401) is 1-(propylamino)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(propylamino)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(propylamino)cyclopropane-1-carbonitrile is CCCNC1(C#N)CC1.
What is the InChIKey of 1-(propylamino)cyclopropane-1-carbonitrile?
The InChIKey is SUYZRBXUMHUCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-5-9-7(6-8)3-4-7/h9H,2-5H2,1H3.
What are the key properties of 1-(propylamino)cyclopropane-1-carbonitrile?
1-(propylamino)cyclopropane-1-carbonitrile has a molecular weight of 124.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)cyclopropane-1-carbonitrile is sourced from PubChem (CID 103439401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).