3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine

C16H34N2O — CID 81018894

IUPAC3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
SMILESCC(C)CNCC(C)C(C)N(C)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-13(2)10-17-11-14(3)15(4)18(5)12-16-6-8-19-9-7-16/h13-17H,6-12H2,1-5H3
InChIKeyXYMGCGFYFOELGN-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.62
Rot. Bonds8

About 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine

3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine (PubChem CID 81018894) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
PubChem CID81018894
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
SMILESCC(C)CNCC(C)C(C)N(C)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-13(2)10-17-11-14(3)15(4)18(5)12-16-6-8-19-9-7-16/h13-17H,6-12H2,1-5H3
InChIKeyXYMGCGFYFOELGN-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 79409399
3-N,2-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81018774
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63707845
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 63706666
3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409276
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 81012962
1-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-2-amine
CID 104555183
3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011276
3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
CID 79408757
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 55227224

Frequently Asked Questions

What is the IUPAC name of 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The IUPAC name of 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine (CID 81018894) is 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine is CC(C)CNCC(C)C(C)N(C)CC1CCOCC1.
What is the InChIKey of 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
The InChIKey is XYMGCGFYFOELGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)10-17-11-14(3)15(4)18(5)12-16-6-8-19-9-7-16/h13-17H,6-12H2,1-5H3.
What are the key properties of 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine?
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 81018894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).