pentan-1-amine;tetradecanoic acid

C19H41NO2 — CID 174809000

IUPACpentan-1-amine;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.CCCCCN
InChIInChI=1S/C14H28O2.C5H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6/h2-13H2,1H3,(H,15,16);2-6H2,1H3
InChIKeyOFFRHWWKYRTMCR-UHFFFAOYSA-N
MW315.54 g/mol
LogP5.91
Rot. Bonds15

About pentan-1-amine;tetradecanoic acid

pentan-1-amine;tetradecanoic acid (PubChem CID 174809000) has the molecular formula C19H41NO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is pentan-1-amine;tetradecanoic acid.

Molecular Properties

Compound Namepentan-1-amine;tetradecanoic acid
PubChem CID174809000
Molecular FormulaC19H41NO2
Molecular Weight315.54 g/mol
Exact Mass315.31
IUPAC Namepentan-1-amine;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.CCCCCN
InChIInChI=1S/C14H28O2.C5H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6/h2-13H2,1H3,(H,15,16);2-6H2,1H3
InChIKeyOFFRHWWKYRTMCR-UHFFFAOYSA-N
XLogP5.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.54
LogP ≤ 55.91
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

hexadecanoic acid;pentan-1-amine
CID 161401164
decan-1-amine;dodecanoic acid
CID 173305256
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538
decan-1-amine;tetradecanoic acid
CID 158474246
7-aminoheptanoic acid;heptanoic acid
CID 157060940
icosan-1-amine;octadecanoic acid
CID 174740583
5-aminopentan-1-ol;octanoic acid
CID 21259313
hexadecanoic acid;octadec-9-en-1-amine
CID 74935183
dodecan-1-amine;octadec-9-enoic acid
CID 71446756
(Z)-octadec-9-enoic acid;tetradecan-1-amine
CID 173122543
11-aminoundecanoic acid;ethane
CID 144914161

Frequently Asked Questions

What is the IUPAC name of pentan-1-amine;tetradecanoic acid?
The IUPAC name of pentan-1-amine;tetradecanoic acid (CID 174809000) is pentan-1-amine;tetradecanoic acid.
What is the SMILES notation for pentan-1-amine;tetradecanoic acid?
The canonical SMILES for pentan-1-amine;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.CCCCCN.
What is the InChIKey of pentan-1-amine;tetradecanoic acid?
The InChIKey is OFFRHWWKYRTMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C5H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6/h2-13H2,1H3,(H,15,16);2-6H2,1H3.
What are the key properties of pentan-1-amine;tetradecanoic acid?
pentan-1-amine;tetradecanoic acid has a molecular weight of 315.54 g/mol, XLogP of 5.91, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-amine;tetradecanoic acid is sourced from PubChem (CID 174809000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).