2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol

C10H22N2O — CID 103069520

IUPAC2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCCC)CN(C)CCO
InChIInChI=1S/C10H22N2O/c1-4-5-11-8-10(2)9-12(3)6-7-13/h11,13H,2,4-9H2,1,3H3
InChIKeyYMELKUNJJWCFFA-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.47
Rot. Bonds8

About 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol

2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 103069520) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID103069520
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCCC)CN(C)CCO
InChIInChI=1S/C10H22N2O/c1-4-5-11-8-10(2)9-12(3)6-7-13/h11,13H,2,4-9H2,1,3H3
InChIKeyYMELKUNJJWCFFA-UHFFFAOYSA-N
XLogP0.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069561
N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine
CID 103071074
1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol
CID 103070338
2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol
CID 103067672
N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069623
2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
CID 103073312
N-[2-(dimethylamino)ethyl]-N'-ethyl-N-methyl-2-methylidenepropane-1,3-diamine
CID 103070658
N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069682
5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol
CID 107203626
N'-ethyl-N'-methyl-N-(2-methylidenebutyl)ethane-1,2-diamine
CID 66046180
3-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]butanenitrile
CID 103070580
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
CID 103069465

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol (CID 103069520) is 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNCCC)CN(C)CCO.
What is the InChIKey of 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is YMELKUNJJWCFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-11-8-10(2)9-12(3)6-7-13/h11,13H,2,4-9H2,1,3H3.
What are the key properties of 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 186.30 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103069520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).