2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine

C15H33N3 — CID 55084420

IUPAC2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)C1CCCN(C)C1
InChIInChI=1S/C15H33N3/c1-5-9-15(13-16,10-6-2)18(4)14-8-7-11-17(3)12-14/h14H,5-13,16H2,1-4H3
InChIKeyZULXUULPGHVDFK-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.31
Rot. Bonds7

About 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine

2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine (PubChem CID 55084420) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine
PubChem CID55084420
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)C1CCCN(C)C1
InChIInChI=1S/C15H33N3/c1-5-9-15(13-16,10-6-2)18(4)14-8-7-11-17(3)12-14/h14H,5-13,16H2,1-4H3
InChIKeyZULXUULPGHVDFK-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
CID 80557311
2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 79008803
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine
CID 63232902
2-N-(cyclohexylmethyl)-2-N-methyl-2-propylpentane-1,2-diamine
CID 63472711
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62545961

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine (CID 55084420) is 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine is CCCC(CN)(CCC)N(C)C1CCCN(C)C1.
What is the InChIKey of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine?
The InChIKey is ZULXUULPGHVDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-9-15(13-16,10-6-2)18(4)14-8-7-11-17(3)12-14/h14H,5-13,16H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine?
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-methylpiperidin-3-yl)-2-propylpentane-1,2-diamine is sourced from PubChem (CID 55084420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).