1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

C15H31N3 — CID 104745946

IUPAC1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)C1CCCN(C)C1)C1CCCC1
InChIInChI=1S/C15H31N3/c1-16-15(13-7-4-5-8-13)12-18(3)14-9-6-10-17(2)11-14/h13-16H,4-12H2,1-3H3
InChIKeyIIJILFYAAAOSNP-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (PubChem CID 104745946) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
PubChem CID104745946
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)C1CCCN(C)C1)C1CCCC1
InChIInChI=1S/C15H31N3/c1-16-15(13-7-4-5-8-13)12-18(3)14-9-6-10-17(2)11-14/h13-16H,4-12H2,1-3H3
InChIKeyIIJILFYAAAOSNP-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745948
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744435
1-cyclohexyl-N'-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 104744627
N'-cycloheptyl-1-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 63914736
1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 104746229
1-cyclohexyl-N'-(1-ethylpiperidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 104745568
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
N'-(cyclobutylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 104745978
4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
CID 117039168
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744433
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62545953
1-methoxy-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-2-ol
CID 63930037

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (CID 104745946) is 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is CNC(CN(C)C1CCCN(C)C1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The InChIKey is IIJILFYAAAOSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-16-15(13-7-4-5-8-13)12-18(3)14-9-6-10-17(2)11-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).