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

C13H28N2O — CID 104681987

IUPACN,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine
SMILESCC(CCCN)CN(C)CC1CCCCO1
InChIInChI=1S/C13H28N2O/c1-12(6-5-8-14)10-15(2)11-13-7-3-4-9-16-13/h12-13H,3-11,14H2,1-2H3
InChIKeyIYQZINSZWSHWHP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds7

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

N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine (PubChem CID 104681987) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine
PubChem CID104681987
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine
SMILESCC(CCCN)CN(C)CC1CCCCO1
InChIInChI=1S/C13H28N2O/c1-12(6-5-8-14)10-15(2)11-13-7-3-4-9-16-13/h12-13H,3-11,14H2,1-2H3
InChIKeyIYQZINSZWSHWHP-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62430661
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61435818
N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pentane-1,5-diamine
CID 104682229
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
CID 104682305
N-(cyclobutylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 80544292
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 61431541
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine
CID 114867512

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine (CID 104681987) is N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine is CC(CCCN)CN(C)CC1CCCCO1.
What is the InChIKey of N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine?
The InChIKey is IYQZINSZWSHWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(6-5-8-14)10-15(2)11-13-7-3-4-9-16-13/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine?
N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 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-2-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 104681987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).