N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine

C13H29N3 — CID 116945942

IUPACN'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)C1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-10(2)12(9-15-3)13(14)11-5-7-16(4)8-6-11/h10-13,15H,5-9,14H2,1-4H3
InChIKeyBAXFBCNTTIBNGL-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.15
Rot. Bonds5

About N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine

N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945942) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945942
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)C1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-10(2)12(9-15-3)13(14)11-5-7-16(4)8-6-11/h10-13,15H,5-9,14H2,1-4H3
InChIKeyBAXFBCNTTIBNGL-UHFFFAOYSA-N
XLogP1.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine 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

N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 116933024
1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935127
1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 116859527
3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116938112
3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one
CID 116923575
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
N,2-dimethyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 114998676
2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 115254844
N-methyl-2-(1-methylpiperidin-4-yl)oxybutan-1-amine
CID 62441247
1-(1-methylpiperidin-4-yl)-2-sulfanylethanol
CID 117238993
1-cyclobutyl-2-ethyl-N'-methylpropane-1,3-diamine
CID 116946560
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine (CID 116945942) is N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine is CNCC(C(C)C)C(N)C1CCN(C)CC1.
What is the InChIKey of N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is BAXFBCNTTIBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-10(2)12(9-15-3)13(14)11-5-7-16(4)8-6-11/h10-13,15H,5-9,14H2,1-4H3.
What are the key properties of N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine?
N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).