N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine

C14H27NO — CID 103917407

IUPACN-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine
SMILESCCOC1CC(NC2C(C)CCCC2C)C1
InChIInChI=1S/C14H27NO/c1-4-16-13-8-12(9-13)15-14-10(2)6-5-7-11(14)3/h10-15H,4-9H2,1-3H3
InChIKeyOYRKVAWHTXFYNA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine

N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine (PubChem CID 103917407) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine
PubChem CID103917407
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine
SMILESCCOC1CC(NC2C(C)CCCC2C)C1
InChIInChI=1S/C14H27NO/c1-4-16-13-8-12(9-13)15-14-10(2)6-5-7-11(14)3/h10-15H,4-9H2,1-3H3
InChIKeyOYRKVAWHTXFYNA-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64852108
N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 104870855
N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 112553042
N-(3-ethoxycyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 112553043
N-(3-ethoxycyclobutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 112553044
N-(3-methoxycyclobutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 113460024
N-(3-methoxycyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 113502473
N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine
CID 114223977
N-(3-methoxybutyl)-4-methylcyclohexan-1-amine
CID 67490101
5-ethoxy-N-ethyl-2,6-dimethylheptan-3-amine
CID 140101404
3-[3-[2-hexyloctyl(methyl)amino]propoxy]-N-methylcyclobutan-1-amine
CID 169951429
N-butyl-3-[3-[2-hexyloctyl(methyl)amino]propoxy]cyclobutan-1-amine
CID 169951545

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine (CID 103917407) is N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine is CCOC1CC(NC2C(C)CCCC2C)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine?
The InChIKey is OYRKVAWHTXFYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-16-13-8-12(9-13)15-14-10(2)6-5-7-11(14)3/h10-15H,4-9H2,1-3H3.
What are the key properties of N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine?
N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103917407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).