2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile

C16H32N4 — CID 79314860

IUPAC2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(C)CC1CCCN1C
InChIInChI=1S/C16H32N4/c1-6-9-18-16(3,13-17)11-14(2)20(5)12-15-8-7-10-19(15)4/h14-15,18H,6-12H2,1-5H3
InChIKeyCLHMRTVVTPNXAW-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.07
Rot. Bonds8

About 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile

2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile (PubChem CID 79314860) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
PubChem CID79314860
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N(C)CC1CCCN1C
InChIInChI=1S/C16H32N4/c1-6-9-18-16(3,13-17)11-14(2)20(5)12-15-8-7-10-19(15)4/h14-15,18H,6-12H2,1-5H3
InChIKeyCLHMRTVVTPNXAW-UHFFFAOYSA-N
XLogP2.07
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 79315856
2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 64727327
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 79313498
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 79317831
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpentane-1,4-diamine
CID 79313502
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727714
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 107401005
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64727667
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64726523
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64725508
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
CID 79315492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile (CID 79314860) is 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)N(C)CC1CCCN1C.
What is the InChIKey of 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile?
The InChIKey is CLHMRTVVTPNXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-6-9-18-16(3,13-17)11-14(2)20(5)12-15-8-7-10-19(15)4/h14-15,18H,6-12H2,1-5H3.
What are the key properties of 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile?
2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile has a molecular weight of 280.46 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile is sourced from PubChem (CID 79314860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).