2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile

C16H30N4 — CID 63907711

IUPAC2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN(C)CC1CCN(C)C1)C1CC1
InChIInChI=1S/C16H30N4/c1-4-8-18-16(12-17,15-5-6-15)13-20(3)11-14-7-9-19(2)10-14/h14-15,18H,4-11,13H2,1-3H3
InChIKeyCDCVSNGRHLDOGW-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.54
Rot. Bonds8

About 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile

2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile (PubChem CID 63907711) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile
PubChem CID63907711
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN(C)CC1CCN(C)C1)C1CC1
InChIInChI=1S/C16H30N4/c1-4-8-18-16(12-17,15-5-6-15)13-20(3)11-14-7-9-19(2)10-14/h14-15,18H,4-11,13H2,1-3H3
InChIKeyCDCVSNGRHLDOGW-UHFFFAOYSA-N
XLogP1.54
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63907289
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63914354
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanoic acid
CID 55171442
2-cyclopropyl-2-(ethylamino)-3-[methyl-(1-methylpiperidin-3-yl)amino]propanenitrile
CID 63914894
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63913144
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66454535
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63274039
3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63915100
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 64727327
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
1-N,2-dimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63274555

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile (CID 63907711) is 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile is CCCNC(C#N)(CN(C)CC1CCN(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile?
The InChIKey is CDCVSNGRHLDOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-8-18-16(12-17,15-5-6-15)13-20(3)11-14-7-9-19(2)10-14/h14-15,18H,4-11,13H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile?
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile has a molecular weight of 278.44 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile is sourced from PubChem (CID 63907711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).