3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol

C15H23NO — CID 111489276

IUPAC3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol
SMILESC=CCCCN(C)C(CCO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-4-8-12-16(2)15(11-13-17)14-9-6-5-7-10-14/h3,5-7,9-10,15,17H,1,4,8,11-13H2,2H3
InChIKeyHJONYALAXPLPGV-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.01
Rot. Bonds8

About 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol

3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol (PubChem CID 111489276) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol
PubChem CID111489276
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol
SMILESC=CCCCN(C)C(CCO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-4-8-12-16(2)15(11-13-17)14-9-6-5-7-10-14/h3,5-7,9-10,15,17H,1,4,8,11-13H2,2H3
InChIKeyHJONYALAXPLPGV-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
5-[(2-amino-1-phenylethyl)-methylamino]pentan-1-ol
CID 107198422
N-(3-methyl-1-phenylbut-3-enyl)-N-pent-4-enylaniline
CID 102510383
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol (CID 111489276) is 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol is C=CCCCN(C)C(CCO)c1ccccc1.
What is the InChIKey of 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol?
The InChIKey is HJONYALAXPLPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-8-12-16(2)15(11-13-17)14-9-6-5-7-10-14/h3,5-7,9-10,15,17H,1,4,8,11-13H2,2H3.
What are the key properties of 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol?
3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pent-4-enyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111489276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).