dodecan-1-amine;3-hydroxybenzoic acid

C19H33NO3 — CID 18690731

IUPACdodecan-1-amine;3-hydroxybenzoic acid
SMILESCCCCCCCCCCCCN.O=C(O)c1cccc(O)c1
InChIInChI=1S/C12H27N.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;8-6-3-1-2-5(4-6)7(9)10/h2-13H2,1H3;1-4,8H,(H,9,10)
InChIKeyACLGJVSKRTYTNA-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.96
Rot. Bonds11

About dodecan-1-amine;3-hydroxybenzoic acid

dodecan-1-amine;3-hydroxybenzoic acid (PubChem CID 18690731) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is dodecan-1-amine;3-hydroxybenzoic acid.

Molecular Properties

Compound Namedodecan-1-amine;3-hydroxybenzoic acid
PubChem CID18690731
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Namedodecan-1-amine;3-hydroxybenzoic acid
SMILESCCCCCCCCCCCCN.O=C(O)c1cccc(O)c1
InChIInChI=1S/C12H27N.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;8-6-3-1-2-5(4-6)7(9)10/h2-13H2,1H3;1-4,8H,(H,9,10)
InChIKeyACLGJVSKRTYTNA-UHFFFAOYSA-N
XLogP4.96
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodecan-1-amine;3-hydroxybenzoic acid?
The IUPAC name of dodecan-1-amine;3-hydroxybenzoic acid (CID 18690731) is dodecan-1-amine;3-hydroxybenzoic acid.
What is the SMILES notation for dodecan-1-amine;3-hydroxybenzoic acid?
The canonical SMILES for dodecan-1-amine;3-hydroxybenzoic acid is CCCCCCCCCCCCN.O=C(O)c1cccc(O)c1.
What is the InChIKey of dodecan-1-amine;3-hydroxybenzoic acid?
The InChIKey is ACLGJVSKRTYTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;8-6-3-1-2-5(4-6)7(9)10/h2-13H2,1H3;1-4,8H,(H,9,10).
What are the key properties of dodecan-1-amine;3-hydroxybenzoic acid?
dodecan-1-amine;3-hydroxybenzoic acid has a molecular weight of 323.48 g/mol, XLogP of 4.96, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;3-hydroxybenzoic acid is sourced from PubChem (CID 18690731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).