4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine

C14H29NO — CID 103031384

IUPAC4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCC(C)CC1
InChIInChI=1S/C14H29NO/c1-11-5-7-12(8-6-11)13(15)9-10-14(2,3)16-4/h11-13H,5-10,15H2,1-4H3
InChIKeyLXWNCEVJEUHNRY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.35
Rot. Bonds5

About 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine

4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine (PubChem CID 103031384) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine
PubChem CID103031384
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCC(C)CC1
InChIInChI=1S/C14H29NO/c1-11-5-7-12(8-6-11)13(15)9-10-14(2,3)16-4/h11-13H,5-10,15H2,1-4H3
InChIKeyLXWNCEVJEUHNRY-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine (CID 103031384) is 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine is COC(C)(C)CCC(N)C1CCC(C)CC1.
What is the InChIKey of 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine?
The InChIKey is LXWNCEVJEUHNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11-5-7-12(8-6-11)13(15)9-10-14(2,3)16-4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine?
4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(4-methylcyclohexyl)pentan-1-amine is sourced from PubChem (CID 103031384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).