N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine

C12H23NO — CID 164660778

IUPACN-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine
SMILESCC1CCC1NCC1CCOC1(C)C
InChIInChI=1S/C12H23NO/c1-9-4-5-11(9)13-8-10-6-7-14-12(10,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyLBOFYFPBNDQHSF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds3

About N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine

N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine (PubChem CID 164660778) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine
PubChem CID164660778
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine
SMILESCC1CCC1NCC1CCOC1(C)C
InChIInChI=1S/C12H23NO/c1-9-4-5-11(9)13-8-10-6-7-14-12(10,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyLBOFYFPBNDQHSF-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(2-methyloxolan-3-yl)methyl]cyclobutan-1-amine
CID 130554494
N-[(2,2-dimethylcyclopropyl)methyl]-2-methyloxolan-3-amine
CID 103902167
N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine
CID 131175670
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
2,2-dimethyloxolan-3-amine
CID 59657974
N-(2,2-dimethylpropyl)-2-methylcyclobutan-1-amine
CID 130171534
N-(1,3-dioxan-4-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 81102186
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64908944
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391
2,2-dimethyl-N-(3-methylbut-2-enyl)oxolan-3-amine
CID 130683160
1-[(2,2-dimethyloxolan-3-yl)amino]-2-methylpropan-2-ol
CID 130649838
2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 106662513

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine?
The IUPAC name of N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine (CID 164660778) is N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine?
The canonical SMILES for N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine is CC1CCC1NCC1CCOC1(C)C.
What is the InChIKey of N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine?
The InChIKey is LBOFYFPBNDQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-4-5-11(9)13-8-10-6-7-14-12(10,2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine?
N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyloxolan-3-yl)methyl]-2-methylcyclobutan-1-amine is sourced from PubChem (CID 164660778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).