3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol

C16H23NO — CID 62624727

IUPAC3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-4-10-17(11-5-2)12-9-16(18)15-8-6-7-14(3)13-15/h4-8,13,16,18H,1-2,9-12H2,3H3
InChIKeyLCUKDAGVBQRNJE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds8

About 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol

3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol (PubChem CID 62624727) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
PubChem CID62624727
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-4-10-17(11-5-2)12-9-16(18)15-8-6-7-14(3)13-15/h4-8,13,16,18H,1-2,9-12H2,3H3
InChIKeyLCUKDAGVBQRNJE-UHFFFAOYSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol (CID 62624727) is 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol is C=CCN(CC=C)CCC(O)c1cccc(C)c1.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol?
The InChIKey is LCUKDAGVBQRNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-10-17(11-5-2)12-9-16(18)15-8-6-7-14(3)13-15/h4-8,13,16,18H,1-2,9-12H2,3H3.
What are the key properties of 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol?
3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 62624727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).