10-(aminomethyl)octadecanoic acid

C19H39NO2 — CID 155144621

IUPAC10-(aminomethyl)octadecanoic acid
SMILESCCCCCCCCC(CN)CCCCCCCCC(=O)O
InChIInChI=1S/C19H39NO2/c1-2-3-4-5-8-11-14-18(17-20)15-12-9-6-7-10-13-16-19(21)22/h18H,2-17,20H2,1H3,(H,21,22)
InChIKeyAWSULTCQXAJGOJ-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.52
Rot. Bonds17

About 10-(aminomethyl)octadecanoic acid

10-(aminomethyl)octadecanoic acid (PubChem CID 155144621) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 10-(aminomethyl)octadecanoic acid.

Molecular Properties

Compound Name10-(aminomethyl)octadecanoic acid
PubChem CID155144621
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name10-(aminomethyl)octadecanoic acid
SMILESCCCCCCCCC(CN)CCCCCCCCC(=O)O
InChIInChI=1S/C19H39NO2/c1-2-3-4-5-8-11-14-18(17-20)15-12-9-6-7-10-13-16-19(21)22/h18H,2-17,20H2,1H3,(H,21,22)
InChIKeyAWSULTCQXAJGOJ-UHFFFAOYSA-N
XLogP5.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619
9-ethyloctadecanoic acid
CID 11045212
7-ethyldodecanoic acid
CID 5282689
2-heptylundecan-1-ol;hexadecanoic acid
CID 175092135
9-aminopentadecanoic acid
CID 87304604
(2S)-2-hexyldecan-1-amine
CID 129368307
2-hexyloctadecan-1-amine
CID 87546751
4-decyl-11-pentylnonadecanoic acid
CID 57279723
hexadecanoic acid;2-hexyldecyl dodecanoate
CID 159959030
8-(2-hexyloctoxy)-8-oxooctanoic acid
CID 177325930
henicosane;tetracontanoic acid
CID 175935348

Frequently Asked Questions

What is the IUPAC name of 10-(aminomethyl)octadecanoic acid?
The IUPAC name of 10-(aminomethyl)octadecanoic acid (CID 155144621) is 10-(aminomethyl)octadecanoic acid.
What is the SMILES notation for 10-(aminomethyl)octadecanoic acid?
The canonical SMILES for 10-(aminomethyl)octadecanoic acid is CCCCCCCCC(CN)CCCCCCCCC(=O)O.
What is the InChIKey of 10-(aminomethyl)octadecanoic acid?
The InChIKey is AWSULTCQXAJGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-2-3-4-5-8-11-14-18(17-20)15-12-9-6-7-10-13-16-19(21)22/h18H,2-17,20H2,1H3,(H,21,22).
What are the key properties of 10-(aminomethyl)octadecanoic acid?
10-(aminomethyl)octadecanoic acid has a molecular weight of 313.53 g/mol, XLogP of 5.52, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(aminomethyl)octadecanoic acid is sourced from PubChem (CID 155144621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).