4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine

C11H24N2 — CID 62807255

IUPAC4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
SMILESCC(C)CN(C)C1CCC(N)CC1
InChIInChI=1S/C11H24N2/c1-9(2)8-13(3)11-6-4-10(12)5-7-11/h9-11H,4-8,12H2,1-3H3
InChIKeyPGQFMXIVDHHKFA-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.84
Rot. Bonds3

About 4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine (PubChem CID 62807255) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
PubChem CID62807255
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
SMILESCC(C)CN(C)C1CCC(N)CC1
InChIInChI=1S/C11H24N2/c1-9(2)8-13(3)11-6-4-10(12)5-7-11/h9-11H,4-8,12H2,1-3H3
InChIKeyPGQFMXIVDHHKFA-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.84
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-(2-methylpropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine (CID 62807255) is 4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine is CC(C)CN(C)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine?
The InChIKey is PGQFMXIVDHHKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)8-13(3)11-6-4-10(12)5-7-11/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.84, 3 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-(2-methylpropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62807255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).