N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine

C17H35N3 — CID 62555461

IUPACN'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN1CCC(N(C)CCNC2CCCCC2C)CC1
InChIInChI=1S/C17H35N3/c1-4-20-12-9-16(10-13-20)19(3)14-11-18-17-8-6-5-7-15(17)2/h15-18H,4-14H2,1-3H3
InChIKeyVCXNMSLNJRIKLW-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine

N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 62555461) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID62555461
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN1CCC(N(C)CCNC2CCCCC2C)CC1
InChIInChI=1S/C17H35N3/c1-4-20-12-9-16(10-13-20)19(3)14-11-18-17-8-6-5-7-15(17)2/h15-18H,4-14H2,1-3H3
InChIKeyVCXNMSLNJRIKLW-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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Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (CID 62555461) is N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is CCN1CCC(N(C)CCNC2CCCCC2C)CC1.
What is the InChIKey of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is VCXNMSLNJRIKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-20-12-9-16(10-13-20)19(3)14-11-18-17-8-6-5-7-15(17)2/h15-18H,4-14H2,1-3H3.
What are the key properties of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)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 N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 62555461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).