1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol

C8H18N2O — CID 103070336

IUPAC1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol
SMILESC=C(CN)CN(C)CC(C)O
InChIInChI=1S/C8H18N2O/c1-7(4-9)5-10(3)6-8(2)11/h8,11H,1,4-6,9H2,2-3H3
InChIKeyUPNPVJYYOICGBR-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.19
Rot. Bonds5

About 1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol

1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol (PubChem CID 103070336) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol
PubChem CID103070336
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol
SMILESC=C(CN)CN(C)CC(C)O
InChIInChI=1S/C8H18N2O/c1-7(4-9)5-10(3)6-8(2)11/h8,11H,1,4-6,9H2,2-3H3
InChIKeyUPNPVJYYOICGBR-UHFFFAOYSA-N
XLogP-0.19
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
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-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol (CID 103070336) is 1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol is C=C(CN)CN(C)CC(C)O.
What is the InChIKey of 1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol?
The InChIKey is UPNPVJYYOICGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(4-9)5-10(3)6-8(2)11/h8,11H,1,4-6,9H2,2-3H3.
What are the key properties of 1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol?
1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol has a molecular weight of 158.24 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)prop-2-enyl-methylamino]propan-2-ol is sourced from PubChem (CID 103070336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).