acetic acid;5-aminopentan-1-ol

C7H17NO3 — CID 71566788

IUPACacetic acid;5-aminopentan-1-ol
SMILESCC(=O)O.NCCCCCO
InChIInChI=1S/C5H13NO.C2H4O2/c6-4-2-1-3-5-7;1-2(3)4/h7H,1-6H2;1H3,(H,3,4)
InChIKeyGJELJXVMZWUFRG-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.20
Rot. Bonds4

About acetic acid;5-aminopentan-1-ol

acetic acid;5-aminopentan-1-ol (PubChem CID 71566788) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is acetic acid;5-aminopentan-1-ol.

Molecular Properties

Compound Nameacetic acid;5-aminopentan-1-ol
PubChem CID71566788
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Nameacetic acid;5-aminopentan-1-ol
SMILESCC(=O)O.NCCCCCO
InChIInChI=1S/C5H13NO.C2H4O2/c6-4-2-1-3-5-7;1-2(3)4/h7H,1-6H2;1H3,(H,3,4)
InChIKeyGJELJXVMZWUFRG-UHFFFAOYSA-N
XLogP0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.20
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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Related Compounds

12-aminododecan-1-ol;2-methylprop-2-enoic acid
CID 175402226
36-aminohexatriacontan-1-ol
CID 87686190
acetic acid;butane-1,4-diol
CID 53446412
acetic acid;azane;butane-1,4-diamine;methanamine
CID 173169975
acetic acid;propane-1,3-diamine
CID 158444659
acetic acid;azane;butane-1,4-diol
CID 175568117
6-aminohexan-1-ol;hydrochloride
CID 21259387
acetic acid;hexan-1-amine
CID 174564294
acetic acid;hexacosan-1-amine
CID 172814522
acetic acid;alumane;propane-1,3-diamine
CID 173265651
5-aminopentan-1-ol;octanoic acid
CID 21259313
dodecan-1-amine;hexan-1-ol
CID 90011077

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-aminopentan-1-ol?
The IUPAC name of acetic acid;5-aminopentan-1-ol (CID 71566788) is acetic acid;5-aminopentan-1-ol.
What is the SMILES notation for acetic acid;5-aminopentan-1-ol?
The canonical SMILES for acetic acid;5-aminopentan-1-ol is CC(=O)O.NCCCCCO.
What is the InChIKey of acetic acid;5-aminopentan-1-ol?
The InChIKey is GJELJXVMZWUFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C2H4O2/c6-4-2-1-3-5-7;1-2(3)4/h7H,1-6H2;1H3,(H,3,4).
What are the key properties of acetic acid;5-aminopentan-1-ol?
acetic acid;5-aminopentan-1-ol has a molecular weight of 163.22 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-aminopentan-1-ol is sourced from PubChem (CID 71566788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).