(Z)-5-(hexylamino)-1-phenylpent-3-en-2-one

C17H25NO — CID 162387444

IUPAC(Z)-5-(hexylamino)-1-phenylpent-3-en-2-one
SMILESCCCCCCNC/C=C\C(=O)Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-2-3-4-8-13-18-14-9-12-17(19)15-16-10-6-5-7-11-16/h5-7,9-12,18H,2-4,8,13-15H2,1H3/b12-9-
InChIKeySRZZOPOFKOGNGY-XFXZXTDPSA-N
MW259.39 g/mol
LogP3.52
Rot. Bonds10

About (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one

(Z)-5-(hexylamino)-1-phenylpent-3-en-2-one (PubChem CID 162387444) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-(hexylamino)-1-phenylpent-3-en-2-one
PubChem CID162387444
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(Z)-5-(hexylamino)-1-phenylpent-3-en-2-one
SMILESCCCCCCNC/C=C\C(=O)Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-2-3-4-8-13-18-14-9-12-17(19)15-16-10-6-5-7-11-16/h5-7,9-12,18H,2-4,8,13-15H2,1H3/b12-9-
InChIKeySRZZOPOFKOGNGY-XFXZXTDPSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylacetyl)octadecanamide
CID 175258087
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N-(2-phenylethyl)undecan-1-amine
CID 141108004
benzyl-dimethyl-[3-(octylamino)propyl]azanium
CID 139808252
benzaldehyde;N-hexylhexan-1-amine
CID 87442359
1-phenylheptadecan-2-one
CID 12920609
2-(hexylamino)-1-phenylethanone
CID 82101185
1-phenylnona-3,4-dien-2-one
CID 71537415

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one?
The IUPAC name of (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one (CID 162387444) is (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one.
What is the SMILES notation for (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one?
The canonical SMILES for (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one is CCCCCCNC/C=C\C(=O)Cc1ccccc1.
What is the InChIKey of (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one?
The InChIKey is SRZZOPOFKOGNGY-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-3-4-8-13-18-14-9-12-17(19)15-16-10-6-5-7-11-16/h5-7,9-12,18H,2-4,8,13-15H2,1H3/b12-9-.
What are the key properties of (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one?
(Z)-5-(hexylamino)-1-phenylpent-3-en-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(hexylamino)-1-phenylpent-3-en-2-one is sourced from PubChem (CID 162387444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).