1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine

C12H27N3 — CID 116949940

IUPAC1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine
SMILESCNC(CCC(C)N)C1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-10(13)6-7-12(14-2)11-5-4-8-15(3)9-11/h10-12,14H,4-9,13H2,1-3H3
InChIKeyUELHHMHYWXHEJB-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.04
Rot. Bonds5

About 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine

1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine (PubChem CID 116949940) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine
PubChem CID116949940
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine
SMILESCNC(CCC(C)N)C1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-10(13)6-7-12(14-2)11-5-4-8-15(3)9-11/h10-12,14H,4-9,13H2,1-3H3
InChIKeyUELHHMHYWXHEJB-UHFFFAOYSA-N
XLogP1.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116831489
1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine
CID 116949236
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848
acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine
CID 145244362
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
2-(ethylamino)-2-(1-methylpiperidin-3-yl)ethanol
CID 116859371
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
1-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 116933806
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine
CID 170053035

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine (CID 116949940) is 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine is CNC(CCC(C)N)C1CCCN(C)C1.
What is the InChIKey of 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine?
The InChIKey is UELHHMHYWXHEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(13)6-7-12(14-2)11-5-4-8-15(3)9-11/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine?
1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine is sourced from PubChem (CID 116949940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).