3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine

C12H26N2O — CID 82717384

IUPAC3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine
SMILESCCCCN(CC)C1(CN)CCOC1C
InChIInChI=1S/C12H26N2O/c1-4-6-8-14(5-2)12(10-13)7-9-15-11(12)3/h11H,4-10,13H2,1-3H3
InChIKeyHWIRRNBGNKEJNP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine

3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine (PubChem CID 82717384) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine
PubChem CID82717384
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine
SMILESCCCCN(CC)C1(CN)CCOC1C
InChIInChI=1S/C12H26N2O/c1-4-6-8-14(5-2)12(10-13)7-9-15-11(12)3/h11H,4-10,13H2,1-3H3
InChIKeyHWIRRNBGNKEJNP-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-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

3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine
CID 82717640
3-(aminomethyl)-N,2-dimethyl-N-propyloxolan-3-amine
CID 82718601
3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine
CID 107869444
3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)oxolan-3-amine
CID 82719159
1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine
CID 81321456
3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
CID 82717506
3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
CID 82717798
3-(aminomethyl)-N,N-dibutyl-4-methylthiolan-3-amine
CID 114285201
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
3-(aminomethyl)-N-butyl-N-ethyl-5-methylthiolan-3-amine
CID 79950939
(3-ethyl-2-methyloxolan-3-yl)methanamine
CID 114533945

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine (CID 82717384) is 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine is CCCCN(CC)C1(CN)CCOC1C.
What is the InChIKey of 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine?
The InChIKey is HWIRRNBGNKEJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-8-14(5-2)12(10-13)7-9-15-11(12)3/h11H,4-10,13H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine?
3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine is sourced from PubChem (CID 82717384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).