N-(1-cyclobutylethyl)-2-methyloxan-4-amine

C12H23NO — CID 115897450

IUPACN-(1-cyclobutylethyl)-2-methyloxan-4-amine
SMILESCC1CC(NC(C)C2CCC2)CCO1
InChIInChI=1S/C12H23NO/c1-9-8-12(6-7-14-9)13-10(2)11-4-3-5-11/h9-13H,3-8H2,1-2H3
InChIKeyDVJFVOLZAMMUQU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About N-(1-cyclobutylethyl)-2-methyloxan-4-amine

N-(1-cyclobutylethyl)-2-methyloxan-4-amine (PubChem CID 115897450) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-2-methyloxan-4-amine
PubChem CID115897450
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(1-cyclobutylethyl)-2-methyloxan-4-amine
SMILESCC1CC(NC(C)C2CCC2)CCO1
InChIInChI=1S/C12H23NO/c1-9-8-12(6-7-14-9)13-10(2)11-4-3-5-11/h9-13H,3-8H2,1-2H3
InChIKeyDVJFVOLZAMMUQU-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine
CID 113349439
2-methyl-N-(3-propan-2-ylcyclohexyl)oxan-4-amine
CID 103910632
2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine
CID 115898487
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048
N-(1-cyclohexylethyl)-2-methyloxolan-3-amine
CID 115338729
N-[(1R)-1-cyclohexylethyl]-2-methyloxolan-3-amine
CID 82718726
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine
CID 103907162
N-[(1R)-1-cyclopentylethyl]-3,4-dimethylcyclohexan-1-amine
CID 81395850
N-[(1S)-1-cyclohexylethyl]-3-methylcyclopentan-1-amine
CID 81387418
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine
CID 103907210
4-(1-cyclobutylethylamino)cyclohexan-1-ol
CID 103775411

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-2-methyloxan-4-amine?
The IUPAC name of N-(1-cyclobutylethyl)-2-methyloxan-4-amine (CID 115897450) is N-(1-cyclobutylethyl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-2-methyloxan-4-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-2-methyloxan-4-amine is CC1CC(NC(C)C2CCC2)CCO1.
What is the InChIKey of N-(1-cyclobutylethyl)-2-methyloxan-4-amine?
The InChIKey is DVJFVOLZAMMUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-8-12(6-7-14-9)13-10(2)11-4-3-5-11/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-2-methyloxan-4-amine?
N-(1-cyclobutylethyl)-2-methyloxan-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-2-methyloxan-4-amine is sourced from PubChem (CID 115897450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).