1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C17H35N3 — CID 104744433

IUPAC1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C1CCN(C)CC1)C1CCCCC1
InChIInChI=1S/C17H35N3/c1-4-18-17(15-8-6-5-7-9-15)14-20(3)16-10-12-19(2)13-11-16/h15-18H,4-14H2,1-3H3
InChIKeyKYRDQZQATZFUSR-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 104744433) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID104744433
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C1CCN(C)CC1)C1CCCCC1
InChIInChI=1S/C17H35N3/c1-4-18-17(15-8-6-5-7-9-15)14-20(3)16-10-12-19(2)13-11-16/h15-18H,4-14H2,1-3H3
InChIKeyKYRDQZQATZFUSR-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744435
1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 104744928
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 104746206
1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744436
1-cyclohexyl-N'-(1-ethylpiperidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 104745568
1-cyclohexyl-N'-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 104744627
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
1-cyclohexyl-N'-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 104744610
1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 104744921
N'-cycloheptyl-1-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 63914736
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 104744433) is 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CCNC(CN(C)C1CCN(C)CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is KYRDQZQATZFUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-18-17(15-8-6-5-7-9-15)14-20(3)16-10-12-19(2)13-11-16/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 104744433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).