N'-(3-methylcyclohexyl)ethane-1,2-diamine

C9H20N2 — CID 21036688

IUPACN'-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCC(NCCN)C1
InChIInChI=1S/C9H20N2/c1-8-3-2-4-9(7-8)11-6-5-10/h8-9,11H,2-7,10H2,1H3
InChIKeyOPASVQUJHANLIR-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.11
Rot. Bonds3

About N'-(3-methylcyclohexyl)ethane-1,2-diamine

N'-(3-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 21036688) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-(3-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methylcyclohexyl)ethane-1,2-diamine
PubChem CID21036688
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCC(NCCN)C1
InChIInChI=1S/C9H20N2/c1-8-3-2-4-9(7-8)11-6-5-10/h8-9,11H,2-7,10H2,1H3
InChIKeyOPASVQUJHANLIR-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methylcyclohexyl)ethane-1,2-diamine (CID 21036688) is N'-(3-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methylcyclohexyl)ethane-1,2-diamine is CC1CCCC(NCCN)C1.
What is the InChIKey of N'-(3-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is OPASVQUJHANLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8-3-2-4-9(7-8)11-6-5-10/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N'-(3-methylcyclohexyl)ethane-1,2-diamine?
N'-(3-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 21036688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).