2,2-bis[(prop-2-enylamino)methyl]butan-1-ol

C12H24N2O — CID 88886711

IUPAC2,2-bis[(prop-2-enylamino)methyl]butan-1-ol
SMILESC=CCNCC(CC)(CO)CNCC=C
InChIInChI=1S/C12H24N2O/c1-4-7-13-9-12(6-3,11-15)10-14-8-5-2/h4-5,13-15H,1-2,6-11H2,3H3
InChIKeyNXCWHSIJXGBGIF-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.93
Rot. Bonds10

About 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol

2,2-bis[(prop-2-enylamino)methyl]butan-1-ol (PubChem CID 88886711) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2,2-bis[(prop-2-enylamino)methyl]butan-1-ol
PubChem CID88886711
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2-bis[(prop-2-enylamino)methyl]butan-1-ol
SMILESC=CCNCC(CC)(CO)CNCC=C
InChIInChI=1S/C12H24N2O/c1-4-7-13-9-12(6-3,11-15)10-14-8-5-2/h4-5,13-15H,1-2,6-11H2,3H3
InChIKeyNXCWHSIJXGBGIF-UHFFFAOYSA-N
XLogP0.93
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol?
The IUPAC name of 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol (CID 88886711) is 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol.
What is the SMILES notation for 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol?
The canonical SMILES for 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol is C=CCNCC(CC)(CO)CNCC=C.
What is the InChIKey of 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol?
The InChIKey is NXCWHSIJXGBGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-13-9-12(6-3,11-15)10-14-8-5-2/h4-5,13-15H,1-2,6-11H2,3H3.
What are the key properties of 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol?
2,2-bis[(prop-2-enylamino)methyl]butan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.93, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(prop-2-enylamino)methyl]butan-1-ol is sourced from PubChem (CID 88886711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).