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

C11H23NO — CID 107010121

IUPAC2-[hept-6-enyl(methyl)amino]propan-1-ol
SMILESC=CCCCCCN(C)C(C)CO
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-9-12(3)11(2)10-13/h4,11,13H,1,5-10H2,2-3H3
InChIKeyVKXWUSPQBHEUMJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds8

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

2-[hept-6-enyl(methyl)amino]propan-1-ol (PubChem CID 107010121) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[hept-6-enyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[hept-6-enyl(methyl)amino]propan-1-ol
PubChem CID107010121
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[hept-6-enyl(methyl)amino]propan-1-ol
SMILESC=CCCCCCN(C)C(C)CO
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-9-12(3)11(2)10-13/h4,11,13H,1,5-10H2,2-3H3
InChIKeyVKXWUSPQBHEUMJ-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
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

2-[methyl(6-sulfanylhexyl)amino]propan-1-ol
CID 104556960
3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
CID 107010084
6-[1-hydroxypropan-2-yl(methyl)amino]hexanoic acid
CID 104552515
1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol
CID 101343818
N-iodo-N-methyloct-7-en-1-amine
CID 170105765
2-[hept-6-enyl(pentan-3-yl)amino]ethanol
CID 107010089
octadec-1-ene;propane-1,2,3-triol
CID 87523216
N,N-dibutylhept-6-en-1-amine
CID 126749828
(2S)-2-ethylundec-10-en-1-ol
CID 170849034
N-propan-2-yl-N-propylhex-5-en-1-amine
CID 174192838
1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine
CID 107008079
dec-1-ene;ethane-1,2-diol
CID 87306411

Frequently Asked Questions

What is the IUPAC name of 2-[hept-6-enyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-[hept-6-enyl(methyl)amino]propan-1-ol (CID 107010121) is 2-[hept-6-enyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-[hept-6-enyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-[hept-6-enyl(methyl)amino]propan-1-ol is C=CCCCCCN(C)C(C)CO.
What is the InChIKey of 2-[hept-6-enyl(methyl)amino]propan-1-ol?
The InChIKey is VKXWUSPQBHEUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-7-8-9-12(3)11(2)10-13/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of 2-[hept-6-enyl(methyl)amino]propan-1-ol?
2-[hept-6-enyl(methyl)amino]propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hept-6-enyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 107010121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).