2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol

C9H20N2O — CID 90278162

IUPAC2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol
SMILESC=CC(CN)CC(O)C(C)(C)N
InChIInChI=1S/C9H20N2O/c1-4-7(6-10)5-8(12)9(2,3)11/h4,7-8,12H,1,5-6,10-11H2,2-3H3
InChIKeySVLKLXKAJNMFMT-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.24
Rot. Bonds5

About 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol

2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol (PubChem CID 90278162) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol.

Molecular Properties

Compound Name2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol
PubChem CID90278162
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol
SMILESC=CC(CN)CC(O)C(C)(C)N
InChIInChI=1S/C9H20N2O/c1-4-7(6-10)5-8(12)9(2,3)11/h4,7-8,12H,1,5-6,10-11H2,2-3H3
InChIKeySVLKLXKAJNMFMT-UHFFFAOYSA-N
XLogP0.24
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.24
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 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol?
The IUPAC name of 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol (CID 90278162) is 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol.
What is the SMILES notation for 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol?
The canonical SMILES for 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol is C=CC(CN)CC(O)C(C)(C)N.
What is the InChIKey of 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol?
The InChIKey is SVLKLXKAJNMFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-7(6-10)5-8(12)9(2,3)11/h4,7-8,12H,1,5-6,10-11H2,2-3H3.
What are the key properties of 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol?
2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(aminomethyl)-2-methylhept-6-en-3-ol is sourced from PubChem (CID 90278162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).