5-(aminomethyl)non-4-ene-1,9-diol

C10H21NO2 — CID 90875683

IUPAC5-(aminomethyl)non-4-ene-1,9-diol
SMILESNCC(=CCCCO)CCCCO
InChIInChI=1S/C10H21NO2/c11-9-10(5-1-3-7-12)6-2-4-8-13/h5,12-13H,1-4,6-9,11H2
InChIKeyNSQQYROHCYASJR-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.81
Rot. Bonds8

About 5-(aminomethyl)non-4-ene-1,9-diol

5-(aminomethyl)non-4-ene-1,9-diol (PubChem CID 90875683) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-(aminomethyl)non-4-ene-1,9-diol.

Molecular Properties

Compound Name5-(aminomethyl)non-4-ene-1,9-diol
PubChem CID90875683
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name5-(aminomethyl)non-4-ene-1,9-diol
SMILESNCC(=CCCCO)CCCCO
InChIInChI=1S/C10H21NO2/c11-9-10(5-1-3-7-12)6-2-4-8-13/h5,12-13H,1-4,6-9,11H2
InChIKeyNSQQYROHCYASJR-UHFFFAOYSA-N
XLogP0.81
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)non-4-ene-1,9-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Octen-1-ol, 3-amino-7-methyl-, (3S)-
CID 10986507
3-Amino-7-methyloct-6-en-1-ol
CID 85356853
5-Amino-7-methyloct-6-en-1-ol
CID 88176841
(4E,8E)-10-amino-4,8-dimethyldeca-4,8-dien-1-ol
CID 88811405
(Z)-11-aminoundec-6-en-1-ol
CID 89036331
3-(3-Aminopropyl)pent-2-ene-1,5-diol
CID 90971273
4-(Aminomethyl)hept-3-ene-1,7-diol
CID 91186810
(5E)-1-amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 117940818
1-Amino-7-methyloct-6-en-1-ol
CID 141054235
[4-(Aminomethyl)cyclohexa-1,3-dien-1-yl]methanol
CID 152808934
(Z,3S)-4-(aminomethyl)-3-methylnon-4-en-1-ol
CID 164098426
Amino(cyclopenten-1-yl)methanol
CID 172259438

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)non-4-ene-1,9-diol?
The IUPAC name of 5-(aminomethyl)non-4-ene-1,9-diol (CID 90875683) is 5-(aminomethyl)non-4-ene-1,9-diol.
What is the SMILES notation for 5-(aminomethyl)non-4-ene-1,9-diol?
The canonical SMILES for 5-(aminomethyl)non-4-ene-1,9-diol is NCC(=CCCCO)CCCCO.
What is the InChIKey of 5-(aminomethyl)non-4-ene-1,9-diol?
The InChIKey is NSQQYROHCYASJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c11-9-10(5-1-3-7-12)6-2-4-8-13/h5,12-13H,1-4,6-9,11H2.
What are the key properties of 5-(aminomethyl)non-4-ene-1,9-diol?
5-(aminomethyl)non-4-ene-1,9-diol has a molecular weight of 187.28 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)non-4-ene-1,9-diol is sourced from PubChem (CID 90875683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).