2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine

C13H29N3 — CID 115200230

IUPAC2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
SMILESCN1CCCC(CCNCC(C)(C)CN)C1
InChIInChI=1S/C13H29N3/c1-13(2,10-14)11-15-7-6-12-5-4-8-16(3)9-12/h12,15H,4-11,14H2,1-3H3
InChIKeyMXMAKMKSAWZRMH-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.29
Rot. Bonds6

About 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine

2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine (PubChem CID 115200230) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
PubChem CID115200230
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
SMILESCN1CCCC(CCNCC(C)(C)CN)C1
InChIInChI=1S/C13H29N3/c1-13(2,10-14)11-15-7-6-12-5-4-8-16(3)9-12/h12,15H,4-11,14H2,1-3H3
InChIKeyMXMAKMKSAWZRMH-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-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

3,3-dimethyl-4-[2-(1-methylpiperidin-3-yl)ethylamino]butanoic acid
CID 115220443
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine
CID 115205476
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067
1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115132980
3,3-dimethyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220444
N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204587
2-amino-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115152765
3-methyl-2-[[2-(1-methylpiperidin-3-yl)ethylamino]methyl]butanenitrile
CID 115254668
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360
N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
CID 115213074

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine (CID 115200230) is 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine is CN1CCCC(CCNCC(C)(C)CN)C1.
What is the InChIKey of 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine?
The InChIKey is MXMAKMKSAWZRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2,10-14)11-15-7-6-12-5-4-8-16(3)9-12/h12,15H,4-11,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine?
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 115200230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).