N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine

C12H25NO — CID 79365306

IUPACN-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCC1OCCCC1CNCC(C)C
InChIInChI=1S/C12H25NO/c1-4-12-11(6-5-7-14-12)9-13-8-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyXCGZVAPPCMIYQS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds5

About N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine

N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 79365306) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID79365306
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCC1OCCCC1CNCC(C)C
InChIInChI=1S/C12H25NO/c1-4-12-11(6-5-7-14-12)9-13-8-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyXCGZVAPPCMIYQS-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-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-(2-methylpropyl)oxan-3-yl]methyl]propan-1-amine
CID 79365214
N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364846
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine
CID 79364803
N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033141
N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine
CID 4712138
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 114105549
N-[[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365307

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine (CID 79365306) is N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine is CCC1OCCCC1CNCC(C)C.
What is the InChIKey of N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is XCGZVAPPCMIYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12-11(6-5-7-14-12)9-13-8-10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine?
N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79365306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).