4-methoxyhexane-1,5-diamine

C7H18N2O — CID 19005195

IUPAC4-methoxyhexane-1,5-diamine
SMILESCOC(CCCN)C(C)N
InChIInChI=1S/C7H18N2O/c1-6(9)7(10-2)4-3-5-8/h6-7H,3-5,8-9H2,1-2H3
InChIKeyFXXDJOLNCNNTNS-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.09
Rot. Bonds5

About 4-methoxyhexane-1,5-diamine

4-methoxyhexane-1,5-diamine (PubChem CID 19005195) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-methoxyhexane-1,5-diamine.

Molecular Properties

Compound Name4-methoxyhexane-1,5-diamine
PubChem CID19005195
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name4-methoxyhexane-1,5-diamine
SMILESCOC(CCCN)C(C)N
InChIInChI=1S/C7H18N2O/c1-6(9)7(10-2)4-3-5-8/h6-7H,3-5,8-9H2,1-2H3
InChIKeyFXXDJOLNCNNTNS-UHFFFAOYSA-N
XLogP0.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxyhexane-1,6-diamine
CID 14440438
4-Methoxyhexan-1-amine
CID 14794836
4-(4-Aminohexan-3-yloxy)hexan-3-amine
CID 19422826
2-Methoxypentane-1,5-diamine
CID 20030288
2,6-Diaminohexan-3-ol
CID 21625252
2-(2-Aminoethoxy)pentane-1,5-diamine
CID 22218618
4-Propan-2-yloxyhexane-1,3-diamine
CID 22385511
1,5-Diamino-1,4-dimethyl-3-oxaheptane
CID 22385522
(3S,4R)-3-methoxyheptan-4-amine
CID 28160060
3-Methoxyheptan-4-amine
CID 43184582
(5S)-6-methoxyhexane-1,5-diamine
CID 53680694
1-Methoxyhexan-2-amine
CID 54594359

Frequently Asked Questions

What is the IUPAC name of 4-methoxyhexane-1,5-diamine?
The IUPAC name of 4-methoxyhexane-1,5-diamine (CID 19005195) is 4-methoxyhexane-1,5-diamine.
What is the SMILES notation for 4-methoxyhexane-1,5-diamine?
The canonical SMILES for 4-methoxyhexane-1,5-diamine is COC(CCCN)C(C)N.
What is the InChIKey of 4-methoxyhexane-1,5-diamine?
The InChIKey is FXXDJOLNCNNTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-6(9)7(10-2)4-3-5-8/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 4-methoxyhexane-1,5-diamine?
4-methoxyhexane-1,5-diamine has a molecular weight of 146.23 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyhexane-1,5-diamine is sourced from PubChem (CID 19005195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).