N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine

C10H22N2 — CID 148772553

IUPACN'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine
SMILESCC1CCCCC1CNCCN
InChIInChI=1S/C10H22N2/c1-9-4-2-3-5-10(9)8-12-7-6-11/h9-10,12H,2-8,11H2,1H3
InChIKeyOIRQOQJIPWAZAB-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds4

About N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine

N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine (PubChem CID 148772553) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine
PubChem CID148772553
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine
SMILESCC1CCCCC1CNCCN
InChIInChI=1S/C10H22N2/c1-9-4-2-3-5-10(9)8-12-7-6-11/h9-10,12H,2-8,11H2,1H3
InChIKeyOIRQOQJIPWAZAB-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine (CID 148772553) is N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine is CC1CCCCC1CNCCN.
What is the InChIKey of N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine?
The InChIKey is OIRQOQJIPWAZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9-4-2-3-5-10(9)8-12-7-6-11/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine?
N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methylcyclohexyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 148772553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).