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

C13H28N2O — CID 63707559

IUPAC1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
SMILESCCC(C)C(N)CN(C)CC1CCOCC1
InChIInChI=1S/C13H28N2O/c1-4-11(2)13(14)10-15(3)9-12-5-7-16-8-6-12/h11-13H,4-10,14H2,1-3H3
InChIKeyXOVPHOASSONMJG-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds6

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

1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine (PubChem CID 63707559) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
PubChem CID63707559
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
SMILESCCC(C)C(N)CN(C)CC1CCOCC1
InChIInChI=1S/C13H28N2O/c1-4-11(2)13(14)10-15(3)9-12-5-7-16-8-6-12/h11-13H,4-10,14H2,1-3H3
InChIKeyXOVPHOASSONMJG-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine
CID 60985406
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
3-methyl-1-(oxan-4-yl)pentan-2-amine
CID 63716846
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 114228516
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645
1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 63760483
1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
CID 60985776
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butanenitrile
CID 115254595

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine (CID 63707559) is 1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine is CCC(C)C(N)CN(C)CC1CCOCC1.
What is the InChIKey of 1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine?
The InChIKey is XOVPHOASSONMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-11(2)13(14)10-15(3)9-12-5-7-16-8-6-12/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine?
1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 63707559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).