1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine

C16H33N3 — CID 104746229

IUPAC1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCNC(CN(C)CC1CCN(C)CC1)C1CCCC1
InChIInChI=1S/C16H33N3/c1-17-16(15-6-4-5-7-15)13-19(3)12-14-8-10-18(2)11-9-14/h14-17H,4-13H2,1-3H3
InChIKeyWNBLOJULVZPODL-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds6

About 1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine

1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 104746229) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID104746229
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCNC(CN(C)CC1CCN(C)CC1)C1CCCC1
InChIInChI=1S/C16H33N3/c1-17-16(15-6-4-5-7-15)13-19(3)12-14-8-10-18(2)11-9-14/h14-17H,4-13H2,1-3H3
InChIKeyWNBLOJULVZPODL-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 113448127
1-cyclohexyl-N'-(cyclohexylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745310
N'-(cyclobutylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 104745978
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744435
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 63275561
2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64792457
N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234425
1-cyclopentyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233100
1-cyclopentyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745174

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (CID 104746229) is 1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine is CNC(CN(C)CC1CCN(C)CC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is WNBLOJULVZPODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-17-16(15-6-4-5-7-15)13-19(3)12-14-8-10-18(2)11-9-14/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 6 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-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104746229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).