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

C16H30N4 — CID 63907289

IUPAC2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN(C)CC1CCN(C)C1)C1CC1
InChIInChI=1S/C16H30N4/c1-13(2)18-16(11-17,15-5-6-15)12-20(4)10-14-7-8-19(3)9-14/h13-15,18H,5-10,12H2,1-4H3
InChIKeyOIFGCMBXCQQXTL-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.54
Rot. Bonds7

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

2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile (PubChem CID 63907289) 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-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
PubChem CID63907289
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN(C)CC1CCN(C)C1)C1CC1
InChIInChI=1S/C16H30N4/c1-13(2)18-16(11-17,15-5-6-15)12-20(4)10-14-7-8-19(3)9-14/h13-15,18H,5-10,12H2,1-4H3
InChIKeyOIFGCMBXCQQXTL-UHFFFAOYSA-N
XLogP1.54
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-(propylamino)propanenitrile
CID 63907711
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
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63913144
3-[cyclohexyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913512
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913097
2-ethyl-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 63274400
2-cyclopropyl-2-(ethylamino)-3-[methyl-(1-methylpiperidin-3-yl)amino]propanenitrile
CID 63914894
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile
CID 63236655
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile
CID 62546117
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66454535

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile (CID 63907289) is 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(CN(C)CC1CCN(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is OIFGCMBXCQQXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-13(2)18-16(11-17,15-5-6-15)12-20(4)10-14-7-8-19(3)9-14/h13-15,18H,5-10,12H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile has a molecular weight of 278.44 g/mol, XLogP of 1.54, 7 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-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63907289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).