N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine

C13H28N2O — CID 82017136

IUPACN',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
SMILESCC(CN)CCCN(C)CC1CCOCC1
InChIInChI=1S/C13H28N2O/c1-12(10-14)4-3-7-15(2)11-13-5-8-16-9-6-13/h12-13H,3-11,14H2,1-2H3
InChIKeyJSUZAISJQXROHE-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds7

About N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine

N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine (PubChem CID 82017136) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
PubChem CID82017136
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
SMILESCC(CN)CCCN(C)CC1CCOCC1
InChIInChI=1S/C13H28N2O/c1-12(10-14)4-3-7-15(2)11-13-5-8-16-9-6-13/h12-13H,3-11,14H2,1-2H3
InChIKeyJSUZAISJQXROHE-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
CID 103152553
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine
CID 113497188
N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
CID 61312630
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 63706666
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
CID 63712799
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine (CID 82017136) is N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine is CC(CN)CCCN(C)CC1CCOCC1.
What is the InChIKey of N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
The InChIKey is JSUZAISJQXROHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(10-14)4-3-7-15(2)11-13-5-8-16-9-6-13/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 82017136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).