4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol

C12H24N2O — CID 103071293

IUPAC4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
SMILESC=C(CNC1CC1)CN(C)CCC(C)O
InChIInChI=1S/C12H24N2O/c1-10(8-13-12-4-5-12)9-14(3)7-6-11(2)15/h11-13,15H,1,4-9H2,2-3H3
InChIKeyATXRZEZWFFKPCI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds8

About 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol

4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol (PubChem CID 103071293) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
PubChem CID103071293
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
SMILESC=C(CNC1CC1)CN(C)CCC(C)O
InChIInChI=1S/C12H24N2O/c1-10(8-13-12-4-5-12)9-14(3)7-6-11(2)15/h11-13,15H,1,4-9H2,2-3H3
InChIKeyATXRZEZWFFKPCI-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

4-(2-Methylprop-2-enylamino)butan-2-ol
CID 64911618
1-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-ol
CID 103068933
1-[2-[(Cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol
CID 103068938
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol
CID 103069514
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol
CID 103069521
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol
CID 103069702
2-[Butyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069823
2-[Butyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069828
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
CID 103069969
2-[Cyclopropyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069970
2-[Cyclopropyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069971
2-[Cyclopropyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069972

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol?
The IUPAC name of 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol (CID 103071293) is 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol is C=C(CNC1CC1)CN(C)CCC(C)O.
What is the InChIKey of 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol?
The InChIKey is ATXRZEZWFFKPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(8-13-12-4-5-12)9-14(3)7-6-11(2)15/h11-13,15H,1,4-9H2,2-3H3.
What are the key properties of 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol?
4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-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 4-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol is sourced from PubChem (CID 103071293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).