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

C14H28N4 — CID 63274039

IUPAC2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)CN(C)CC1CCN(C)C1
InChIInChI=1S/C14H28N4/c1-12(2)16-14(3,10-15)11-18(5)9-13-6-7-17(4)8-13/h12-13,16H,6-9,11H2,1-5H3
InChIKeyTUHYINYDACMRSR-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.15
Rot. Bonds6

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

2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile (PubChem CID 63274039) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
PubChem CID63274039
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)CN(C)CC1CCN(C)C1
InChIInChI=1S/C14H28N4/c1-12(2)16-14(3,10-15)11-18(5)9-13-6-7-17(4)8-13/h12-13,16H,6-9,11H2,1-5H3
InChIKeyTUHYINYDACMRSR-UHFFFAOYSA-N
XLogP1.15
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.15
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
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile
CID 62546117
2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile
CID 63236655
2-ethyl-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 63274400
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66454535
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanenitrile
CID 64727725
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 63907711
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
CID 62546459
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanal
CID 63274650
6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62860671
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile (CID 63274039) is 2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C)(C#N)CN(C)CC1CCN(C)C1.
What is the InChIKey of 2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is TUHYINYDACMRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12(2)16-14(3,10-15)11-18(5)9-13-6-7-17(4)8-13/h12-13,16H,6-9,11H2,1-5H3.
What are the key properties of 2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63274039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).