1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine

C14H30N2O — CID 63726325

IUPAC1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
SMILESCNC(CN(C)CC1CCCOC1)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-14(2,3)13(15-4)10-16(5)9-12-7-6-8-17-11-12/h12-13,15H,6-11H2,1-5H3
InChIKeyPWKLUOFPBJNWDY-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds5

About 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine

1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine (PubChem CID 63726325) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
PubChem CID63726325
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
SMILESCNC(CN(C)CC1CCCOC1)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-14(2,3)13(15-4)10-16(5)9-12-7-6-8-17-11-12/h12-13,15H,6-11H2,1-5H3
InChIKeyPWKLUOFPBJNWDY-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N'-methyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 106114843
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 63275561
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683
N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63706145
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63726652
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine
CID 106799877
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63913494
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
CID 114495650
2-N,3,3-trimethyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725899

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine (CID 63726325) is 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine is CNC(CN(C)CC1CCCOC1)C(C)(C)C.
What is the InChIKey of 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine?
The InChIKey is PWKLUOFPBJNWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,3)13(15-4)10-16(5)9-12-7-6-8-17-11-12/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine?
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 63726325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).