(3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol

C18H27NO — CID 142896900

IUPAC(3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol
SMILESC/C=C\C=C(\O)C(C)CN(CC)CCc1ccccc1
InChIInChI=1S/C18H27NO/c1-4-6-12-18(20)16(3)15-19(5-2)14-13-17-10-8-7-9-11-17/h4,6-12,16,20H,5,13-15H2,1-3H3/b6-4-,18-12+
InChIKeyCALUWXWGQGNXEX-WZMVWGNZSA-N
MW273.42 g/mol
LogP4.21
Rot. Bonds8

About (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol

(3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol (PubChem CID 142896900) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol.

Molecular Properties

Compound Name(3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol
PubChem CID142896900
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol
SMILESC/C=C\C=C(\O)C(C)CN(CC)CCc1ccccc1
InChIInChI=1S/C18H27NO/c1-4-6-12-18(20)16(3)15-19(5-2)14-13-17-10-8-7-9-11-17/h4,6-12,16,20H,5,13-15H2,1-3H3/b6-4-,18-12+
InChIKeyCALUWXWGQGNXEX-WZMVWGNZSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
CID 82328998
2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene
CID 159854693
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043
2-[ethyl(2-phenylethyl)amino]acetonitrile
CID 60970456
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968
1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116400
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
methyl (2S)-3-[(3-methoxy-3-oxopropyl)-(2-phenylethyl)amino]-2-methylpropanoate
CID 125496724

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol?
The IUPAC name of (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol (CID 142896900) is (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol.
What is the SMILES notation for (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol?
The canonical SMILES for (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol is C/C=C\C=C(\O)C(C)CN(CC)CCc1ccccc1.
What is the InChIKey of (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol?
The InChIKey is CALUWXWGQGNXEX-WZMVWGNZSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-6-12-18(20)16(3)15-19(5-2)14-13-17-10-8-7-9-11-17/h4,6-12,16,20H,5,13-15H2,1-3H3/b6-4-,18-12+.
What are the key properties of (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol?
(3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol has a molecular weight of 273.42 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol is sourced from PubChem (CID 142896900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).