3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol

C12H24N2O — CID 103071457

IUPAC3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
SMILESC=C(CNC)CN(CCCO)C1CCC1
InChIInChI=1S/C12H24N2O/c1-11(9-13-2)10-14(7-4-8-15)12-5-3-6-12/h12-13,15H,1,3-10H2,2H3
InChIKeyZTVMPJWDEBZVJL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds8

About 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol

3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol (PubChem CID 103071457) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
PubChem CID103071457
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
SMILESC=C(CNC)CN(CCCO)C1CCC1
InChIInChI=1S/C12H24N2O/c1-11(9-13-2)10-14(7-4-8-15)12-5-3-6-12/h12-13,15H,1,3-10H2,2H3
InChIKeyZTVMPJWDEBZVJL-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
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

3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol
CID 103071461
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001
N-cyclopropyl-N'-methyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070023
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
N-(cyanomethyl)-2-[cyclobutyl(3-hydroxypropyl)amino]acetamide
CID 102848492
3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
CID 149151262
5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol
CID 107203626
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
CID 103069808
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
CID 102848725

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol (CID 103071457) is 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol is C=C(CNC)CN(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol?
The InChIKey is ZTVMPJWDEBZVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(9-13-2)10-14(7-4-8-15)12-5-3-6-12/h12-13,15H,1,3-10H2,2H3.
What are the key properties of 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol?
3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol is sourced from PubChem (CID 103071457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).