4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid

C14H24N2O4 — CID 86076026

IUPAC4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid
SMILESNCCCC(N)CCCO.O=C(O)c1ccccc1O
InChIInChI=1S/C7H18N2O.C7H6O3/c8-5-1-3-7(9)4-2-6-10;8-6-4-2-1-3-5(6)7(9)10/h7,10H,1-6,8-9H2;1-4,8H,(H,9,10)
InChIKeyIWXXNBTZGCVIIS-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.92
Rot. Bonds7

About 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid

4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid (PubChem CID 86076026) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid.

Molecular Properties

Compound Name4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid
PubChem CID86076026
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid
SMILESNCCCC(N)CCCO.O=C(O)c1ccccc1O
InChIInChI=1S/C7H18N2O.C7H6O3/c8-5-1-3-7(9)4-2-6-10;8-6-4-2-1-3-5(6)7(9)10/h7,10H,1-6,8-9H2;1-4,8H,(H,9,10)
InChIKeyIWXXNBTZGCVIIS-UHFFFAOYSA-N
XLogP0.92
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4,7-diaminoheptyl 2-hydroxybenzoate
CID 67177128
2-hydroxybenzoic acid;8-methylnonan-1-ol
CID 157224226
butan-1-amine;2-hydroxybenzoic acid
CID 173067655
2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 157145146
2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 70187376
(2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid
CID 158324886
2-hydroxybenzoic acid;hydrobromide
CID 70122828
CID 87183669
CID 87183669
chromium;2-hydroxybenzoic acid
CID 87079476
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
2-hydroxybenzoic acid;praseodymium
CID 87786006

Frequently Asked Questions

What is the IUPAC name of 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid?
The IUPAC name of 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid (CID 86076026) is 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid.
What is the SMILES notation for 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid?
The canonical SMILES for 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid is NCCCC(N)CCCO.O=C(O)c1ccccc1O.
What is the InChIKey of 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid?
The InChIKey is IWXXNBTZGCVIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.C7H6O3/c8-5-1-3-7(9)4-2-6-10;8-6-4-2-1-3-5(6)7(9)10/h7,10H,1-6,8-9H2;1-4,8H,(H,9,10).
What are the key properties of 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid?
4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.92, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diaminoheptan-1-ol;2-hydroxybenzoic acid is sourced from PubChem (CID 86076026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).