N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine

C12H26N2O — CID 115876394

IUPACN,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine
SMILESCC(C)CNCC1(N(C)C)CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(2)9-13-10-12(14(3)4)5-7-15-8-6-12/h11,13H,5-10H2,1-4H3
InChIKeyGUHWKUNGAKLSJQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine

N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine (PubChem CID 115876394) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine
PubChem CID115876394
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine
SMILESCC(C)CNCC1(N(C)C)CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(2)9-13-10-12(14(3)4)5-7-15-8-6-12/h11,13H,5-10H2,1-4H3
InChIKeyGUHWKUNGAKLSJQ-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-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-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066573
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-1-amine
CID 62905571
N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62391307
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119885266
N-[[4-(2-ethoxyethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 55136279
N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62905226
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea
CID 105413208
2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62905753
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62595549
2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine
CID 166557187
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442883
2-[cyclobutyl-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]amino]ethanol
CID 102871012

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine?
The IUPAC name of N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine (CID 115876394) is N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine.
What is the SMILES notation for N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine?
The canonical SMILES for N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine is CC(C)CNCC1(N(C)C)CCOCC1.
What is the InChIKey of N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine?
The InChIKey is GUHWKUNGAKLSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)9-13-10-12(14(3)4)5-7-15-8-6-12/h11,13H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine?
N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine is sourced from PubChem (CID 115876394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).