3-methoxypentane-1,2-diamine

C6H16N2O — CID 131111146

IUPAC3-methoxypentane-1,2-diamine
SMILESCCC(OC)C(N)CN
InChIInChI=1S/C6H16N2O/c1-3-6(9-2)5(8)4-7/h5-6H,3-4,7-8H2,1-2H3
InChIKeyYZXIJZZJIXBBQR-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.30
Rot. Bonds4

About 3-methoxypentane-1,2-diamine

3-methoxypentane-1,2-diamine (PubChem CID 131111146) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 3-methoxypentane-1,2-diamine.

Molecular Properties

Compound Name3-methoxypentane-1,2-diamine
PubChem CID131111146
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name3-methoxypentane-1,2-diamine
SMILESCCC(OC)C(N)CN
InChIInChI=1S/C6H16N2O/c1-3-6(9-2)5(8)4-7/h5-6H,3-4,7-8H2,1-2H3
InChIKeyYZXIJZZJIXBBQR-UHFFFAOYSA-N
XLogP-0.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
(2S,3R)-2-methoxy-3-methylpentan-1-amine
CID 124510675
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
CID 135132665
1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
(2S)-2-methoxybutan-1-amine
CID 42427147
2,3,3-trimethoxypropan-1-amine
CID 23120503
(2S)-2-methoxy-3-methylbutan-1-amine
CID 26188668
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715056
1,1-dimethoxybutan-2-amine;hydrochloride
CID 86775568

Frequently Asked Questions

What is the IUPAC name of 3-methoxypentane-1,2-diamine?
The IUPAC name of 3-methoxypentane-1,2-diamine (CID 131111146) is 3-methoxypentane-1,2-diamine.
What is the SMILES notation for 3-methoxypentane-1,2-diamine?
The canonical SMILES for 3-methoxypentane-1,2-diamine is CCC(OC)C(N)CN.
What is the InChIKey of 3-methoxypentane-1,2-diamine?
The InChIKey is YZXIJZZJIXBBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-3-6(9-2)5(8)4-7/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 3-methoxypentane-1,2-diamine?
3-methoxypentane-1,2-diamine has a molecular weight of 132.21 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypentane-1,2-diamine is sourced from PubChem (CID 131111146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).