N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C17H31NO — CID 64862846

IUPACN-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCC1CCCCC1NC1C2CCCOC2C1(C)C
InChIInChI=1S/C17H31NO/c1-4-12-8-5-6-10-14(12)18-15-13-9-7-11-19-16(13)17(15,2)3/h12-16,18H,4-11H2,1-3H3
InChIKeyYRRGEVXMKYWTCB-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds3

About N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64862846) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64862846
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCC1CCCCC1NC1C2CCCOC2C1(C)C
InChIInChI=1S/C17H31NO/c1-4-12-8-5-6-10-14(12)18-15-13-9-7-11-19-16(13)17(15,2)3/h12-16,18H,4-11H2,1-3H3
InChIKeyYRRGEVXMKYWTCB-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863341
N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872035
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 79352806
N-[(1S)-1-cycloheptylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81390910
1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine
CID 64865569
tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate
CID 107237597
2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol
CID 114750778
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862875
N-(2-ethylcyclohexyl)oxan-4-amine
CID 43709257
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-diethylethanesulfonamide
CID 75472026

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 64862846) is N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CCC1CCCCC1NC1C2CCCOC2C1(C)C.
What is the InChIKey of N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is YRRGEVXMKYWTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-12-8-5-6-10-14(12)18-15-13-9-7-11-19-16(13)17(15,2)3/h12-16,18H,4-11H2,1-3H3.
What are the key properties of N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64862846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).