2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile

C15H28N4 — CID 63236655

IUPAC2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile
SMILESCN1CCC(CN(C)CC(C)(C#N)NC2CC2)CC1
InChIInChI=1S/C15H28N4/c1-15(11-16,17-14-4-5-14)12-19(3)10-13-6-8-18(2)9-7-13/h13-14,17H,4-10,12H2,1-3H3
InChIKeyMXKMNJNSMJQJJS-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.29
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile

2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile (PubChem CID 63236655) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile
PubChem CID63236655
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile
SMILESCN1CCC(CN(C)CC(C)(C#N)NC2CC2)CC1
InChIInChI=1S/C15H28N4/c1-15(11-16,17-14-4-5-14)12-19(3)10-13-6-8-18(2)9-7-13/h13-14,17H,4-10,12H2,1-3H3
InChIKeyMXKMNJNSMJQJJS-UHFFFAOYSA-N
XLogP1.29
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63274039
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanenitrile
CID 64727725
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63700305
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile
CID 63713353
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63236517
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64791463
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63234674
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol
CID 114495626
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-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile (CID 63236655) is 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile is CN1CCC(CN(C)CC(C)(C#N)NC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile?
The InChIKey is MXKMNJNSMJQJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-15(11-16,17-14-4-5-14)12-19(3)10-13-6-8-18(2)9-7-13/h13-14,17H,4-10,12H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile?
2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile has a molecular weight of 264.42 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 63236655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).