N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine

C16H31NO — CID 64851352

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine
SMILESCCOC1CC(NC2CCC(CC)CC2)C1(C)C
InChIInChI=1S/C16H31NO/c1-5-12-7-9-13(10-8-12)17-14-11-15(18-6-2)16(14,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyFDZDLRPSNMUCKH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine (PubChem CID 64851352) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine
PubChem CID64851352
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine
SMILESCCOC1CC(NC2CCC(CC)CC2)C1(C)C
InChIInChI=1S/C16H31NO/c1-5-12-7-9-13(10-8-12)17-14-11-15(18-6-2)16(14,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyFDZDLRPSNMUCKH-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 64850719
N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine
CID 115641989
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852747
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclopentan-1-amine
CID 79860973
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine
CID 79861665
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one
CID 64852724
N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine
CID 103921996
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 64851744
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
CID 107239129
4-[(3-butoxy-2,2-dimethylcyclobutyl)amino]cyclohexane-1-carboxylic acid
CID 122031836
N-cyclopropyl-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112696347

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine (CID 64851352) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine is CCOC1CC(NC2CCC(CC)CC2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine?
The InChIKey is FDZDLRPSNMUCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-12-7-9-13(10-8-12)17-14-11-15(18-6-2)16(14,3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 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)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 64851352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).