N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine

C16H31NO — CID 79861665

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine
SMILESCCOC1CC(NC2CCCCC2(C)C)C1(C)C
InChIInChI=1S/C16H31NO/c1-6-18-14-11-13(16(14,4)5)17-12-9-7-8-10-15(12,2)3/h12-14,17H,6-11H2,1-5H3
InChIKeyBSHHXXREDKBGEZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79861665) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79861665
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine
SMILESCCOC1CC(NC2CCCCC2(C)C)C1(C)C
InChIInChI=1S/C16H31NO/c1-6-18-14-11-13(16(14,4)5)17-12-9-7-8-10-15(12,2)3/h12-14,17H,6-11H2,1-5H3
InChIKeyBSHHXXREDKBGEZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclopentan-1-amine
CID 79860973
(2S)-2-ethoxy-1,1-dimethylcyclohexane
CID 101096766
3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634164
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 64850719
N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine
CID 115641989
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine
CID 64851352
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 64851744
N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine
CID 103921996
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine (CID 79861665) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine is CCOC1CC(NC2CCCCC2(C)C)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is BSHHXXREDKBGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-18-14-11-13(16(14,4)5)17-12-9-7-8-10-15(12,2)3/h12-14,17H,6-11H2,1-5H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79861665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).