4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine

C14H28N2 — CID 62808155

IUPAC4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC1CCC(N(C)C2CCC(N)CC2)CC1
InChIInChI=1S/C14H28N2/c1-11-3-7-13(8-4-11)16(2)14-9-5-12(15)6-10-14/h11-14H,3-10,15H2,1-2H3
InChIKeyLEYLAPNBBWZJRE-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds2

About 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine (PubChem CID 62808155) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
PubChem CID62808155
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC1CCC(N(C)C2CCC(N)CC2)CC1
InChIInChI=1S/C14H28N2/c1-11-3-7-13(8-4-11)16(2)14-9-5-12(15)6-10-14/h11-14H,3-10,15H2,1-2H3
InChIKeyLEYLAPNBBWZJRE-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine (CID 62808155) is 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine is CC1CCC(N(C)C2CCC(N)CC2)CC1.
What is the InChIKey of 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine?
The InChIKey is LEYLAPNBBWZJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-3-7-13(8-4-11)16(2)14-9-5-12(15)6-10-14/h11-14H,3-10,15H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62808155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).