bis(prop-2-enylamino)methanol

C7H14N2O — CID 129192337

IUPACbis(prop-2-enylamino)methanol
SMILESC=CCNC(O)NCC=C
InChIInChI=1S/C7H14N2O/c1-3-5-8-7(10)9-6-4-2/h3-4,7-10H,1-2,5-6H2
InChIKeySKLSBZOORVBREC-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.19
Rot. Bonds6

About bis(prop-2-enylamino)methanol

bis(prop-2-enylamino)methanol (PubChem CID 129192337) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is bis(prop-2-enylamino)methanol.

Molecular Properties

Compound Namebis(prop-2-enylamino)methanol
PubChem CID129192337
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Namebis(prop-2-enylamino)methanol
SMILESC=CCNC(O)NCC=C
InChIInChI=1S/C7H14N2O/c1-3-5-8-7(10)9-6-4-2/h3-4,7-10H,1-2,5-6H2
InChIKeySKLSBZOORVBREC-UHFFFAOYSA-N
XLogP-0.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enylamino)methanol?
The IUPAC name of bis(prop-2-enylamino)methanol (CID 129192337) is bis(prop-2-enylamino)methanol.
What is the SMILES notation for bis(prop-2-enylamino)methanol?
The canonical SMILES for bis(prop-2-enylamino)methanol is C=CCNC(O)NCC=C.
What is the InChIKey of bis(prop-2-enylamino)methanol?
The InChIKey is SKLSBZOORVBREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5-8-7(10)9-6-4-2/h3-4,7-10H,1-2,5-6H2.
What are the key properties of bis(prop-2-enylamino)methanol?
bis(prop-2-enylamino)methanol has a molecular weight of 142.20 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enylamino)methanol is sourced from PubChem (CID 129192337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).