formic acid;heptan-1-amine

C8H19NO2 — CID 144828464

IUPACformic acid;heptan-1-amine
SMILESCCCCCCCN.O=CO
InChIInChI=1S/C7H17N.CH2O2/c1-2-3-4-5-6-7-8;2-1-3/h2-8H2,1H3;1H,(H,2,3)
InChIKeyHWAKOQZOQVVUMZ-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.62
Rot. Bonds5

About formic acid;heptan-1-amine

formic acid;heptan-1-amine (PubChem CID 144828464) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is formic acid;heptan-1-amine.

Molecular Properties

Compound Nameformic acid;heptan-1-amine
PubChem CID144828464
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameformic acid;heptan-1-amine
SMILESCCCCCCCN.O=CO
InChIInChI=1S/C7H17N.CH2O2/c1-2-3-4-5-6-7-8;2-1-3/h2-8H2,1H3;1H,(H,2,3)
InChIKeyHWAKOQZOQVVUMZ-UHFFFAOYSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decan-1-amine;formic acid
CID 157494086
decan-1-amine;decane-1,1-diamine;formic acid
CID 175555484
dihydroxy(oxo)silane;bis(octadecan-1-amine)
CID 173216664
nonan-1-amine;peroxyformic acid
CID 172825043
dodecan-1-amine;hydroxylamine
CID 175960605
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
tridecan-1-amine;undecan-1-amine
CID 23045943
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;bis(prop-1-en-1-ol)
CID 157281865
hexadecan-1-amine;propan-2-one
CID 175396285

Frequently Asked Questions

What is the IUPAC name of formic acid;heptan-1-amine?
The IUPAC name of formic acid;heptan-1-amine (CID 144828464) is formic acid;heptan-1-amine.
What is the SMILES notation for formic acid;heptan-1-amine?
The canonical SMILES for formic acid;heptan-1-amine is CCCCCCCN.O=CO.
What is the InChIKey of formic acid;heptan-1-amine?
The InChIKey is HWAKOQZOQVVUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.CH2O2/c1-2-3-4-5-6-7-8;2-1-3/h2-8H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;heptan-1-amine?
formic acid;heptan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;heptan-1-amine is sourced from PubChem (CID 144828464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).