4-methylcyclohexan-1-amine;undecane

C18H39N — CID 175032759

IUPAC4-methylcyclohexan-1-amine;undecane
SMILESCC1CCC(N)CC1.CCCCCCCCCCC
InChIInChI=1S/C11H24.C7H15N/c1-3-5-7-9-11-10-8-6-4-2;1-6-2-4-7(8)5-3-6/h3-11H2,1-2H3;6-7H,2-5,8H2,1H3
InChIKeyUYRYTJLTRSDHQB-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.06
Rot. Bonds8

About 4-methylcyclohexan-1-amine;undecane

4-methylcyclohexan-1-amine;undecane (PubChem CID 175032759) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 4-methylcyclohexan-1-amine;undecane.

Molecular Properties

Compound Name4-methylcyclohexan-1-amine;undecane
PubChem CID175032759
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name4-methylcyclohexan-1-amine;undecane
SMILESCC1CCC(N)CC1.CCCCCCCCCCC
InChIInChI=1S/C11H24.C7H15N/c1-3-5-7-9-11-10-8-6-4-2;1-6-2-4-7(8)5-3-6/h3-11H2,1-2H3;6-7H,2-5,8H2,1H3
InChIKeyUYRYTJLTRSDHQB-UHFFFAOYSA-N
XLogP6.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.06
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

heptan-1-amine;4-methylcyclohexan-1-amine
CID 157323652
ethane;4-methylcyclohexan-1-amine
CID 142937577
ethane;methanol;4-methylcyclohexan-1-amine
CID 142967747
ethane;tris(methylcyclohexane);octane
CID 142912940
4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
CID 150327650
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-ethyl-4-methylcyclohexane;pentane
CID 159787850

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexan-1-amine;undecane?
The IUPAC name of 4-methylcyclohexan-1-amine;undecane (CID 175032759) is 4-methylcyclohexan-1-amine;undecane.
What is the SMILES notation for 4-methylcyclohexan-1-amine;undecane?
The canonical SMILES for 4-methylcyclohexan-1-amine;undecane is CC1CCC(N)CC1.CCCCCCCCCCC.
What is the InChIKey of 4-methylcyclohexan-1-amine;undecane?
The InChIKey is UYRYTJLTRSDHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C7H15N/c1-3-5-7-9-11-10-8-6-4-2;1-6-2-4-7(8)5-3-6/h3-11H2,1-2H3;6-7H,2-5,8H2,1H3.
What are the key properties of 4-methylcyclohexan-1-amine;undecane?
4-methylcyclohexan-1-amine;undecane has a molecular weight of 269.52 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexan-1-amine;undecane is sourced from PubChem (CID 175032759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).