N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine

C14H29NO — CID 116763096

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

About N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine

N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine (PubChem CID 116763096) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
PubChem CID116763096
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)C1(OC)CCCCC1
InChIInChI=1S/C14H29NO/c1-5-15-13(11-12(2)3)14(16-4)9-7-6-8-10-14/h12-13,15H,5-11H2,1-4H3
InChIKeyBEWXUPFNFKWBGB-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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Related Compounds

N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
CID 116770390
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116764007
N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine
CID 116714567
N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine
CID 116770293
N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine
CID 116770367
N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine
CID 115782896
1-(1-methoxycyclohexyl)-N,3-dimethylpentan-1-amine
CID 116762989
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
CID 116770521
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylhexan-1-amine
CID 116764072
N-ethyl-1-(1-methoxycycloheptyl)-2-methylpentan-1-amine
CID 114013846
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine (CID 116763096) is N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine is CCNC(CC(C)C)C1(OC)CCCCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine?
The InChIKey is BEWXUPFNFKWBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-15-13(11-12(2)3)14(16-4)9-7-6-8-10-14/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine?
N-ethyl-1-(1-methoxycyclohexyl)-3-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 N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine is sourced from PubChem (CID 116763096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).