2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol

C16H25NO — CID 77113961

IUPAC2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNCC=Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-14(2)12-16(3,18)13-17-11-7-10-15-8-5-4-6-9-15/h4-10,14,17-18H,11-13H2,1-3H3
InChIKeyBIZXDDXKJOVEOV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.09
Rot. Bonds7

About 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol

2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol (PubChem CID 77113961) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol
PubChem CID77113961
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNCC=Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-14(2)12-16(3,18)13-17-11-7-10-15-8-5-4-6-9-15/h4-10,14,17-18H,11-13H2,1-3H3
InChIKeyBIZXDDXKJOVEOV-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol
CID 111468728
2-methyl-3-(3-phenylprop-2-enylamino)propan-1-ol
CID 76950990
2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 113288185
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329
2,2-difluoro-3-[[(E)-3-phenylprop-2-enyl]amino]propan-1-ol
CID 104857586
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857
2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 88779532
2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 70585759
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol (CID 77113961) is 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol is CC(C)CC(C)(O)CNCC=Cc1ccccc1.
What is the InChIKey of 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol?
The InChIKey is BIZXDDXKJOVEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(2)12-16(3,18)13-17-11-7-10-15-8-5-4-6-9-15/h4-10,14,17-18H,11-13H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol?
2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(3-phenylprop-2-enylamino)pentan-2-ol is sourced from PubChem (CID 77113961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).