3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine

C12H26N2O — CID 115134884

IUPAC3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
SMILESCN(CC1CCOCC1)C(C)(C)CCN
InChIInChI=1S/C12H26N2O/c1-12(2,6-7-13)14(3)10-11-4-8-15-9-5-11/h11H,4-10,13H2,1-3H3
InChIKeyJTTCODGEHAUXTM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine

3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine (PubChem CID 115134884) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
PubChem CID115134884
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
SMILESCN(CC1CCOCC1)C(C)(C)CCN
InChIInChI=1S/C12H26N2O/c1-12(2,6-7-13)14(3)10-11-4-8-15-9-5-11/h11H,4-10,13H2,1-3H3
InChIKeyJTTCODGEHAUXTM-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(cyclobutylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62860403
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
N-methyl-N-(oxan-4-ylmethyl)cyclopropanamine
CID 70661195
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine
CID 155624811
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 58297160
3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 114228516
3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine
CID 63726447
2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine
CID 115214528
N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713235

Frequently Asked Questions

What is the IUPAC name of 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The IUPAC name of 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine (CID 115134884) is 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine is CN(CC1CCOCC1)C(C)(C)CCN.
What is the InChIKey of 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The InChIKey is JTTCODGEHAUXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,6-7-13)14(3)10-11-4-8-15-9-5-11/h11H,4-10,13H2,1-3H3.
What are the key properties of 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 115134884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).