2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine

C14H30N2O — CID 63725413

IUPAC2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
SMILESCN(CC1CCCOC1)C(CN)CC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-14(2,3)8-13(9-15)16(4)10-12-6-5-7-17-11-12/h12-13H,5-11,15H2,1-4H3
InChIKeyFGYFVTDAYPHPJV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds5

About 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine

2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine (PubChem CID 63725413) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
PubChem CID63725413
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
SMILESCN(CC1CCCOC1)C(CN)CC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-14(2,3)8-13(9-15)16(4)10-12-6-5-7-17-11-12/h12-13H,5-11,15H2,1-4H3
InChIKeyFGYFVTDAYPHPJV-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950046
2-N,3,3-trimethyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725899
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
CID 66432240
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
1-(2,3-dimethylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63725937

Frequently Asked Questions

What is the IUPAC name of 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine (CID 63725413) is 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine is CN(CC1CCCOC1)C(CN)CC(C)(C)C.
What is the InChIKey of 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine?
The InChIKey is FGYFVTDAYPHPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,3)8-13(9-15)16(4)10-12-6-5-7-17-11-12/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine?
2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 63725413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).