2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine

C14H29NO — CID 116762975

IUPAC2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)C1(OC)CCCCC1
InChIInChI=1S/C14H29NO/c1-5-12(6-2)13(15-3)14(16-4)10-8-7-9-11-14/h12-13,15H,5-11H2,1-4H3
InChIKeyLDQLKYFPWBUCLN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds6

About 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine

2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine (PubChem CID 116762975) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
PubChem CID116762975
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)C1(OC)CCCCC1
InChIInChI=1S/C14H29NO/c1-5-12(6-2)13(15-3)14(16-4)10-8-7-9-11-14/h12-13,15H,5-11H2,1-4H3
InChIKeyLDQLKYFPWBUCLN-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine (CID 116762975) is 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine is CCC(CC)C(NC)C1(OC)CCCCC1.
What is the InChIKey of 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine?
The InChIKey is LDQLKYFPWBUCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12(6-2)13(15-3)14(16-4)10-8-7-9-11-14/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine?
2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine is sourced from PubChem (CID 116762975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).