1-amino-4-(aminomethyl)hex-5-en-2-ol

C7H16N2O — CID 90278152

IUPAC1-amino-4-(aminomethyl)hex-5-en-2-ol
SMILESC=CC(CN)CC(O)CN
InChIInChI=1S/C7H16N2O/c1-2-6(4-8)3-7(10)5-9/h2,6-7,10H,1,3-5,8-9H2
InChIKeyQETJDWOZDAXIJQ-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.54
Rot. Bonds5

About 1-amino-4-(aminomethyl)hex-5-en-2-ol

1-amino-4-(aminomethyl)hex-5-en-2-ol (PubChem CID 90278152) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-amino-4-(aminomethyl)hex-5-en-2-ol.

Molecular Properties

Compound Name1-amino-4-(aminomethyl)hex-5-en-2-ol
PubChem CID90278152
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-amino-4-(aminomethyl)hex-5-en-2-ol
SMILESC=CC(CN)CC(O)CN
InChIInChI=1S/C7H16N2O/c1-2-6(4-8)3-7(10)5-9/h2,6-7,10H,1,3-5,8-9H2
InChIKeyQETJDWOZDAXIJQ-UHFFFAOYSA-N
XLogP-0.54
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(aminomethyl)hex-5-en-2-ol?
The IUPAC name of 1-amino-4-(aminomethyl)hex-5-en-2-ol (CID 90278152) is 1-amino-4-(aminomethyl)hex-5-en-2-ol.
What is the SMILES notation for 1-amino-4-(aminomethyl)hex-5-en-2-ol?
The canonical SMILES for 1-amino-4-(aminomethyl)hex-5-en-2-ol is C=CC(CN)CC(O)CN.
What is the InChIKey of 1-amino-4-(aminomethyl)hex-5-en-2-ol?
The InChIKey is QETJDWOZDAXIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-6(4-8)3-7(10)5-9/h2,6-7,10H,1,3-5,8-9H2.
What are the key properties of 1-amino-4-(aminomethyl)hex-5-en-2-ol?
1-amino-4-(aminomethyl)hex-5-en-2-ol has a molecular weight of 144.22 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(aminomethyl)hex-5-en-2-ol is sourced from PubChem (CID 90278152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).