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

C14H28N4 — CID 62546117

IUPAC2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)CN(C)C1CCCN(C)C1
InChIInChI=1S/C14H28N4/c1-12(2)16-14(3,10-15)11-18(5)13-7-6-8-17(4)9-13/h12-13,16H,6-9,11H2,1-5H3
InChIKeyPBMFFVJJTJVUCS-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.29
Rot. Bonds5

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

2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile (PubChem CID 62546117) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile
PubChem CID62546117
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)CN(C)C1CCCN(C)C1
InChIInChI=1S/C14H28N4/c1-12(2)16-14(3,10-15)11-18(5)13-7-6-8-17(4)9-13/h12-13,16H,6-9,11H2,1-5H3
InChIKeyPBMFFVJJTJVUCS-UHFFFAOYSA-N
XLogP1.29
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
CID 62546459
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63274039
2-cyclopropyl-2-(ethylamino)-3-[methyl-(1-methylpiperidin-3-yl)amino]propanenitrile
CID 63914894
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009
2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide
CID 63925394
N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62545961
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
CID 64787613
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63907289
N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine
CID 63193569
6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62860671

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile (CID 62546117) is 2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C)(C#N)CN(C)C1CCCN(C)C1.
What is the InChIKey of 2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is PBMFFVJJTJVUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12(2)16-14(3,10-15)11-18(5)13-7-6-8-17(4)9-13/h12-13,16H,6-9,11H2,1-5H3.
What are the key properties of 2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile?
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.29, 5 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-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 62546117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).