1-amino-7-methyloct-5-en-1-ol

C9H19NO — CID 123302789

IUPAC1-amino-7-methyloct-5-en-1-ol
SMILESCC(C)C=CCCCC(N)O
InChIInChI=1S/C9H19NO/c1-8(2)6-4-3-5-7-9(10)11/h4,6,8-9,11H,3,5,7,10H2,1-2H3
InChIKeyVQGZDKVISVYFEK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.65
Rot. Bonds5

About 1-amino-7-methyloct-5-en-1-ol

1-amino-7-methyloct-5-en-1-ol (PubChem CID 123302789) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-amino-7-methyloct-5-en-1-ol.

Molecular Properties

Compound Name1-amino-7-methyloct-5-en-1-ol
PubChem CID123302789
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-amino-7-methyloct-5-en-1-ol
SMILESCC(C)C=CCCCC(N)O
InChIInChI=1S/C9H19NO/c1-8(2)6-4-3-5-7-9(10)11/h4,6,8-9,11H,3,5,7,10H2,1-2H3
InChIKeyVQGZDKVISVYFEK-UHFFFAOYSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-10-aminodec-5-en-1-ol
CID 10910016
1-Aminooct-4-ene-1,8-diol
CID 57208307
(E)-8-aminooct-4-en-1-ol
CID 57958042
amino-[(1R)-cyclopent-2-en-1-yl]methanol
CID 69966768
Amino(cyclopent-2-en-1-yl)methanol
CID 77751998
(7Z,10Z,13Z,16Z)-1-aminodocosa-7,10,13,16-tetraen-1-ol
CID 87438307
1-Amino-3-prop-2-enylhex-5-en-1-ol
CID 87793067
1-Amino-2-propylpent-4-en-1-ol
CID 88029329
(4E,8E)-10-amino-4,8-dimethyldeca-4,8-dien-1-ol
CID 88811405
(4Z)-1-amino-4-(3-methylcyclohexa-1,5-dien-1-yl)hepta-4,6-dien-1-ol
CID 88903986
(Z)-11-aminoundec-6-en-1-ol
CID 89036331
(S)-amino(cyclohex-3-en-1-yl)methanol
CID 89321957

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methyloct-5-en-1-ol?
The IUPAC name of 1-amino-7-methyloct-5-en-1-ol (CID 123302789) is 1-amino-7-methyloct-5-en-1-ol.
What is the SMILES notation for 1-amino-7-methyloct-5-en-1-ol?
The canonical SMILES for 1-amino-7-methyloct-5-en-1-ol is CC(C)C=CCCCC(N)O.
What is the InChIKey of 1-amino-7-methyloct-5-en-1-ol?
The InChIKey is VQGZDKVISVYFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-4-3-5-7-9(10)11/h4,6,8-9,11H,3,5,7,10H2,1-2H3.
What are the key properties of 1-amino-7-methyloct-5-en-1-ol?
1-amino-7-methyloct-5-en-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methyloct-5-en-1-ol is sourced from PubChem (CID 123302789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).