ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile

C9H18N2 — CID 162749056

IUPACethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile
SMILESCC.CC(C)NC1(C#N)CC1
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)9-7(5-8)3-4-7;1-2/h6,9H,3-4H2,1-2H3;1-2H3
InChIKeyMBMIFLKPXVSXMQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.07
Rot. Bonds2

About ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile

ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile (PubChem CID 162749056) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Nameethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile
PubChem CID162749056
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile
SMILESCC.CC(C)NC1(C#N)CC1
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)9-7(5-8)3-4-7;1-2/h6,9H,3-4H2,1-2H3;1-2H3
InChIKeyMBMIFLKPXVSXMQ-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(propan-2-ylamino)piperidine-4-carbonitrile
CID 61244098
3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 103563238
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636871
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 106822385
3-(3-hydroxybutan-2-ylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107771668
1-(methylamino)cyclopentane-1-carbonitrile
CID 12945445
2-(propan-2-ylamino)adamantane-2-carbonitrile
CID 62779613
3-(3-methylbutylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107755118
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499

Frequently Asked Questions

What is the IUPAC name of ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile?
The IUPAC name of ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile (CID 162749056) is ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile.
What is the SMILES notation for ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile?
The canonical SMILES for ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile is CC.CC(C)NC1(C#N)CC1.
What is the InChIKey of ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile?
The InChIKey is MBMIFLKPXVSXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-6(2)9-7(5-8)3-4-7;1-2/h6,9H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile?
ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile has a molecular weight of 154.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile is sourced from PubChem (CID 162749056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).