1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine

C12H27N3 — CID 116949236

IUPAC1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine
SMILESCNC(CC(C)(C)N)C1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-12(2,13)8-11(14-3)10-6-5-7-15(4)9-10/h10-11,14H,5-9,13H2,1-4H3
InChIKeyOCZKPDQWDPHTPR-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.04
Rot. Bonds4

About 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine

1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine (PubChem CID 116949236) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine
PubChem CID116949236
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine
SMILESCNC(CC(C)(C)N)C1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-12(2,13)8-11(14-3)10-6-5-7-15(4)9-10/h10-11,14H,5-9,13H2,1-4H3
InChIKeyOCZKPDQWDPHTPR-UHFFFAOYSA-N
XLogP1.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-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

1-cyclopentyl-1-N,3-dimethylbutane-1,3-diamine
CID 116949228
1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine
CID 116949940
3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116831489
1-N,2-N,2-trimethyl-1-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 116954118
2-amino-2-methyl-1-(1-methylpiperidin-3-yl)propan-1-ol
CID 116836135
2-(ethylamino)-2-(1-methylpiperidin-3-yl)ethanol
CID 116859371
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274
1-(1-methylpiperidin-3-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720415

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine (CID 116949236) is 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine is CNC(CC(C)(C)N)C1CCCN(C)C1.
What is the InChIKey of 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine?
The InChIKey is OCZKPDQWDPHTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2,13)8-11(14-3)10-6-5-7-15(4)9-10/h10-11,14H,5-9,13H2,1-4H3.
What are the key properties of 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine?
1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine is sourced from PubChem (CID 116949236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).