N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine

C13H26N2 — CID 62556852

IUPACN'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)C1CCC(C)CC1
InChIInChI=1S/C13H26N2/c1-4-9-14-10-11-15(3)13-7-5-12(2)6-8-13/h4,12-14H,1,5-11H2,2-3H3
InChIKeyZZFVJBMQMSLHCC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds6

About N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine

N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 62556852) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine
PubChem CID62556852
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)C1CCC(C)CC1
InChIInChI=1S/C13H26N2/c1-4-9-14-10-11-15(3)13-7-5-12(2)6-8-13/h4,12-14H,1,5-11H2,2-3H3
InChIKeyZZFVJBMQMSLHCC-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine (CID 62556852) is N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(C)C1CCC(C)CC1.
What is the InChIKey of N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is ZZFVJBMQMSLHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-9-14-10-11-15(3)13-7-5-12(2)6-8-13/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine?
N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62556852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).