5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol

C17H27NO — CID 10923316

IUPAC5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol
SMILESC=C(CC(O)CC)CC(NC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO/c1-5-16(19)11-14(4)12-17(18-13(2)3)15-9-7-6-8-10-15/h6-10,13,16-19H,4-5,11-12H2,1-3H3
InChIKeyMXBIJXLDXOZVHW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.83
Rot. Bonds8

About 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol

5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol (PubChem CID 10923316) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol.

Molecular Properties

Compound Name5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol
PubChem CID10923316
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol
SMILESC=C(CC(O)CC)CC(NC(C)C)c1ccccc1
InChIInChI=1S/C17H27NO/c1-5-16(19)11-14(4)12-17(18-13(2)3)15-9-7-6-8-10-15/h6-10,13,16-19H,4-5,11-12H2,1-3H3
InChIKeyMXBIJXLDXOZVHW-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
(3-methylidene-1-phenylpentyl)hydrazine
CID 105199375
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
CID 29012459
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
trimethyl-(2-methylidene-4-phenylpentyl)silane
CID 86100682
6,6-diphenylhexan-3-ol
CID 57258566
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol?
The IUPAC name of 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol (CID 10923316) is 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol.
What is the SMILES notation for 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol?
The canonical SMILES for 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol is C=C(CC(O)CC)CC(NC(C)C)c1ccccc1.
What is the InChIKey of 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol?
The InChIKey is MXBIJXLDXOZVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-16(19)11-14(4)12-17(18-13(2)3)15-9-7-6-8-10-15/h6-10,13,16-19H,4-5,11-12H2,1-3H3.
What are the key properties of 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol?
5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol has a molecular weight of 261.41 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol is sourced from PubChem (CID 10923316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).