7-(prop-2-enylamino)heptan-1-ol

C10H21NO — CID 87378145

IUPAC7-(prop-2-enylamino)heptan-1-ol
SMILESC=CCNCCCCCCCO
InChIInChI=1S/C10H21NO/c1-2-8-11-9-6-4-3-5-7-10-12/h2,11-12H,1,3-10H2
InChIKeyQFCCJUVMPUTOOS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds9

About 7-(prop-2-enylamino)heptan-1-ol

7-(prop-2-enylamino)heptan-1-ol (PubChem CID 87378145) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 7-(prop-2-enylamino)heptan-1-ol.

Molecular Properties

Compound Name7-(prop-2-enylamino)heptan-1-ol
PubChem CID87378145
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name7-(prop-2-enylamino)heptan-1-ol
SMILESC=CCNCCCCCCCO
InChIInChI=1S/C10H21NO/c1-2-8-11-9-6-4-3-5-7-10-12/h2,11-12H,1,3-10H2
InChIKeyQFCCJUVMPUTOOS-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(prop-2-enylamino)pentan-1-ol
CID 62228256
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
N-prop-2-enyltridecan-1-amine
CID 22467882
6-(3-methylbut-2-enylamino)hexan-1-ol
CID 106547380
N-(5-hydroxypentyl)-N'-prop-2-enyloxamide
CID 108525776
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
phosphoric acid;N-prop-2-enyldodecan-1-amine
CID 174431091
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
ethane;N-prop-2-enylpent-4-en-1-amine
CID 144890480
17-methyl-N-prop-2-enyloctadecan-1-amine
CID 153323392

Frequently Asked Questions

What is the IUPAC name of 7-(prop-2-enylamino)heptan-1-ol?
The IUPAC name of 7-(prop-2-enylamino)heptan-1-ol (CID 87378145) is 7-(prop-2-enylamino)heptan-1-ol.
What is the SMILES notation for 7-(prop-2-enylamino)heptan-1-ol?
The canonical SMILES for 7-(prop-2-enylamino)heptan-1-ol is C=CCNCCCCCCCO.
What is the InChIKey of 7-(prop-2-enylamino)heptan-1-ol?
The InChIKey is QFCCJUVMPUTOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-8-11-9-6-4-3-5-7-10-12/h2,11-12H,1,3-10H2.
What are the key properties of 7-(prop-2-enylamino)heptan-1-ol?
7-(prop-2-enylamino)heptan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(prop-2-enylamino)heptan-1-ol is sourced from PubChem (CID 87378145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).