N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine

C16H31N — CID 64762914

IUPACN-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C)CC2C)C(C)C1
InChIInChI=1S/C16H31N/c1-11-5-7-15(13(3)9-11)17-16-8-6-12(2)10-14(16)4/h11-17H,5-10H2,1-4H3
InChIKeyGILDYRQBVZRNLC-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine

N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 64762914) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
PubChem CID64762914
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C)CC2C)C(C)C1
InChIInChI=1S/C16H31N/c1-11-5-7-15(13(3)9-11)17-16-8-6-12(2)10-14(16)4/h11-17H,5-10H2,1-4H3
InChIKeyGILDYRQBVZRNLC-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine (CID 64762914) is N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine is CC1CCC(NC2CCC(C)CC2C)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is GILDYRQBVZRNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-11-5-7-15(13(3)9-11)17-16-8-6-12(2)10-14(16)4/h11-17H,5-10H2,1-4H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine?
N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64762914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).