2,4-dimethylcyclohexan-1-amine;dodecane

C20H43N — CID 174680887

IUPAC2,4-dimethylcyclohexan-1-amine;dodecane
SMILESCC1CCC(N)C(C)C1.CCCCCCCCCCCC
InChIInChI=1S/C12H26.C8H17N/c1-3-5-7-9-11-12-10-8-6-4-2;1-6-3-4-8(9)7(2)5-6/h3-12H2,1-2H3;6-8H,3-5,9H2,1-2H3
InChIKeyHXRUSRQAKOKPNA-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.70
Rot. Bonds9

About 2,4-dimethylcyclohexan-1-amine;dodecane

2,4-dimethylcyclohexan-1-amine;dodecane (PubChem CID 174680887) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 2,4-dimethylcyclohexan-1-amine;dodecane.

Molecular Properties

Compound Name2,4-dimethylcyclohexan-1-amine;dodecane
PubChem CID174680887
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name2,4-dimethylcyclohexan-1-amine;dodecane
SMILESCC1CCC(N)C(C)C1.CCCCCCCCCCCC
InChIInChI=1S/C12H26.C8H17N/c1-3-5-7-9-11-12-10-8-6-4-2;1-6-3-4-8(9)7(2)5-6/h3-12H2,1-2H3;6-8H,3-5,9H2,1-2H3
InChIKeyHXRUSRQAKOKPNA-UHFFFAOYSA-N
XLogP6.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylcyclohexan-1-amine
CID 14675373
2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine
CID 174795917
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
2-heptoxy-4-methylcyclohexan-1-amine
CID 43127507
3-dodecyl-2-methylcyclopentan-1-amine
CID 64908094
4-methylcyclohexan-1-amine;undecane
CID 175032759
5-methyl-2-(2-methylundecan-2-yl)cyclohexan-1-amine
CID 64765358
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
cis-(1R,2S)-4-methylcyclohexane-1,2-diamine
CID 101451140
1-methyl-2-pentadecylcyclopropane
CID 54385825
4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine
CID 57090235

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylcyclohexan-1-amine;dodecane?
The IUPAC name of 2,4-dimethylcyclohexan-1-amine;dodecane (CID 174680887) is 2,4-dimethylcyclohexan-1-amine;dodecane.
What is the SMILES notation for 2,4-dimethylcyclohexan-1-amine;dodecane?
The canonical SMILES for 2,4-dimethylcyclohexan-1-amine;dodecane is CC1CCC(N)C(C)C1.CCCCCCCCCCCC.
What is the InChIKey of 2,4-dimethylcyclohexan-1-amine;dodecane?
The InChIKey is HXRUSRQAKOKPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C8H17N/c1-3-5-7-9-11-12-10-8-6-4-2;1-6-3-4-8(9)7(2)5-6/h3-12H2,1-2H3;6-8H,3-5,9H2,1-2H3.
What are the key properties of 2,4-dimethylcyclohexan-1-amine;dodecane?
2,4-dimethylcyclohexan-1-amine;dodecane has a molecular weight of 297.57 g/mol, XLogP of 6.70, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylcyclohexan-1-amine;dodecane is sourced from PubChem (CID 174680887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).