N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

C16H27N3 — CID 62560432

IUPACN'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCC1CCCC(NCCN(C)Cc2ccncc2)C1
InChIInChI=1S/C16H27N3/c1-14-4-3-5-16(12-14)18-10-11-19(2)13-15-6-8-17-9-7-15/h6-9,14,16,18H,3-5,10-13H2,1-2H3
InChIKeyQOMXOMWIFXUAEG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds6

About N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 62560432) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID62560432
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCC1CCCC(NCCN(C)Cc2ccncc2)C1
InChIInChI=1S/C16H27N3/c1-14-4-3-5-16(12-14)18-10-11-19(2)13-15-6-8-17-9-7-15/h6-9,14,16,18H,3-5,10-13H2,1-2H3
InChIKeyQOMXOMWIFXUAEG-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 62560432) is N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CC1CCCC(NCCN(C)Cc2ccncc2)C1.
What is the InChIKey of N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is QOMXOMWIFXUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14-4-3-5-16(12-14)18-10-11-19(2)13-15-6-8-17-9-7-15/h6-9,14,16,18H,3-5,10-13H2,1-2H3.
What are the key properties of N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).