2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine

C14H29NO — CID 139968991

IUPAC2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine
SMILESCOCC(CN)(CC(C)C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)9-14(10-15,11-16-3)13-7-5-4-6-8-13/h12-13H,4-11,15H2,1-3H3
InChIKeyWXQPLZZSZJSBDY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.20
Rot. Bonds6

About 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine

2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine (PubChem CID 139968991) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine
PubChem CID139968991
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine
SMILESCOCC(CN)(CC(C)C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)9-14(10-15,11-16-3)13-7-5-4-6-8-13/h12-13H,4-11,15H2,1-3H3
InChIKeyWXQPLZZSZJSBDY-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine?
The IUPAC name of 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine (CID 139968991) is 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine is COCC(CN)(CC(C)C)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine?
The InChIKey is WXQPLZZSZJSBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)9-14(10-15,11-16-3)13-7-5-4-6-8-13/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine?
2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(methoxymethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 139968991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).