2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine

C13H22N2O2 — CID 158083087

IUPAC2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine
SMILESCC(CN)CCCN.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H16N2/c8-5-6-3-1-2-4-7(6)9;1-6(5-8)3-2-4-7/h1-5,9H;6H,2-5,7-8H2,1H3
InChIKeyFNENSUAMHOTZNO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.52
Rot. Bonds5

About 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine

2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine (PubChem CID 158083087) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine.

Molecular Properties

Compound Name2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine
PubChem CID158083087
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine
SMILESCC(CN)CCCN.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H16N2/c8-5-6-3-1-2-4-7(6)9;1-6(5-8)3-2-4-7/h1-5,9H;6H,2-5,7-8H2,1H3
InChIKeyFNENSUAMHOTZNO-UHFFFAOYSA-N
XLogP1.52
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187
2-hydroxybenzaldehyde;methanamine
CID 174602056
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
2-(1,2-diaminoethoxy)benzaldehyde;2-hydroxybenzaldehyde
CID 87454191
bis(2-ethyl-2-(hydroxymethyl)propane-1,3-diol);2-hydroxybenzaldehyde
CID 175183399
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
aniline;2-hydroxybenzaldehyde
CID 159847329

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine?
The IUPAC name of 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine (CID 158083087) is 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine.
What is the SMILES notation for 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine?
The canonical SMILES for 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine is CC(CN)CCCN.O=Cc1ccccc1O.
What is the InChIKey of 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine?
The InChIKey is FNENSUAMHOTZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H16N2/c8-5-6-3-1-2-4-7(6)9;1-6(5-8)3-2-4-7/h1-5,9H;6H,2-5,7-8H2,1H3.
What are the key properties of 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine?
2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;2-methylpentane-1,5-diamine is sourced from PubChem (CID 158083087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).