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

C8H18N2O — CID 103071256

IUPAC2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol
SMILESC=C(CN)CN(C)C(C)CO
InChIInChI=1S/C8H18N2O/c1-7(4-9)5-10(3)8(2)6-11/h8,11H,1,4-6,9H2,2-3H3
InChIKeyVYYDRXGHHDEFTK-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.19
Rot. Bonds5

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

2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol (PubChem CID 103071256) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol
PubChem CID103071256
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol
SMILESC=C(CN)CN(C)C(C)CO
InChIInChI=1S/C8H18N2O/c1-7(4-9)5-10(3)8(2)6-11/h8,11H,1,4-6,9H2,2-3H3
InChIKeyVYYDRXGHHDEFTK-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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Related Compounds

2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
CID 115772235
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
N'-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069294
2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol
CID 104551473
2-[1-hydroxypropan-2-yl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 104554051
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 115772259
1-[1-hydroxypropan-2-yl(methyl)amino]-3-methoxypropan-2-one
CID 107507543
4-methyl-2-methylidenepentan-1-amine
CID 55284045
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
5-fluoro-4-methyl-2-methylidenepentan-1-amine
CID 170256845
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol (CID 103071256) is 2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol is C=C(CN)CN(C)C(C)CO.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol?
The InChIKey is VYYDRXGHHDEFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(4-9)5-10(3)8(2)6-11/h8,11H,1,4-6,9H2,2-3H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol?
2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-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 2-[2-(aminomethyl)prop-2-enyl-methylamino]propan-1-ol is sourced from PubChem (CID 103071256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).