3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine

C17H36N2O — CID 107871141

IUPAC3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
SMILESCNCC1(CN(CCC(C)C)CCC(C)C)CCOC1
InChIInChI=1S/C17H36N2O/c1-15(2)6-9-19(10-7-16(3)4)13-17(12-18-5)8-11-20-14-17/h15-16,18H,6-14H2,1-5H3
InChIKeyPMDSJRQFWXRDAI-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.01
Rot. Bonds10

About 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine

3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine (PubChem CID 107871141) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
PubChem CID107871141
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
SMILESCNCC1(CN(CCC(C)C)CCC(C)C)CCOC1
InChIInChI=1S/C17H36N2O/c1-15(2)6-9-19(10-7-16(3)4)13-17(12-18-5)8-11-20-14-17/h15-16,18H,6-14H2,1-5H3
InChIKeyPMDSJRQFWXRDAI-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-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

N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
CID 62260430
N,4-dimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]pentan-2-amine
CID 55056496
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262394
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
N-[[3-[[bis(2-methylpropyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62257834
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 63954673
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486899
N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62257267
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine?
The IUPAC name of 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine (CID 107871141) is 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine is CNCC1(CN(CCC(C)C)CCC(C)C)CCOC1.
What is the InChIKey of 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine?
The InChIKey is PMDSJRQFWXRDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-15(2)6-9-19(10-7-16(3)4)13-17(12-18-5)8-11-20-14-17/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine?
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine is sourced from PubChem (CID 107871141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).