3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol

C13H27NO — CID 107010084

IUPAC3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
SMILESC=CCCCCCN(CCCO)C(C)C
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-10-14(13(2)3)11-9-12-15/h4,13,15H,1,5-12H2,2-3H3
InChIKeyBFKOAECBZCNEJB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds10

About 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol

3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol (PubChem CID 107010084) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
PubChem CID107010084
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
SMILESC=CCCCCCN(CCCO)C(C)C
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-10-14(13(2)3)11-9-12-15/h4,13,15H,1,5-12H2,2-3H3
InChIKeyBFKOAECBZCNEJB-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
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

7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
N-propan-2-yl-N-propylhex-5-en-1-amine
CID 174192838
2-[hept-6-enyl(pentan-3-yl)amino]ethanol
CID 107010089
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947
2-[hept-6-enyl(methyl)amino]propan-1-ol
CID 107010121
sodium 2-[bis(oct-7-enyl)amino]propanoate
CID 101313401
1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol
CID 101343818
methoxymethane;tridec-12-en-1-ol
CID 87674016
3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
CID 166090876
potassium N-[[1-carboxyethyl(3-hydroxypropyl)amino]methyl]oct-7-enimidate
CID 101286343
octadeca-9,17-dien-1-ol
CID 78409331
N-iodo-N-methyloct-7-en-1-amine
CID 170105765

Frequently Asked Questions

What is the IUPAC name of 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol (CID 107010084) is 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol is C=CCCCCCN(CCCO)C(C)C.
What is the InChIKey of 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is BFKOAECBZCNEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-6-7-8-10-14(13(2)3)11-9-12-15/h4,13,15H,1,5-12H2,2-3H3.
What are the key properties of 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol?
3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 107010084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).