(1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine

C15H21N — CID 142391741

IUPAC(1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine
SMILESCCCCc1ccc(C/C=C\C=C/N)cc1
InChIInChI=1S/C15H21N/c1-2-3-7-14-9-11-15(12-10-14)8-5-4-6-13-16/h4-6,9-13H,2-3,7-8,16H2,1H3/b5-4-,13-6-
InChIKeySDRDRLCFKOCWPF-YIDBNINZSA-N
MW215.34 g/mol
LogP3.60
Rot. Bonds6

About (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine

(1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine (PubChem CID 142391741) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine
PubChem CID142391741
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine
SMILESCCCCc1ccc(C/C=C\C=C/N)cc1
InChIInChI=1S/C15H21N/c1-2-3-7-14-9-11-15(12-10-14)8-5-4-6-13-16/h4-6,9-13H,2-3,7-8,16H2,1H3/b5-4-,13-6-
InChIKeySDRDRLCFKOCWPF-YIDBNINZSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-(3-methoxyprop-2-enyl)benzene
CID 67159821
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1-buta-2,3-dienyl-4-butylbenzene
CID 90986104
2-(4-butylphenyl)ethylidene-phosphanylphosphane
CID 89156743
1-butyl-4-[(E)-hex-3-enyl]benzene
CID 91565101
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-hexyl-4-prop-2-enylbenzene
CID 91099375

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine (CID 142391741) is (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine is CCCCc1ccc(C/C=C\C=C/N)cc1.
What is the InChIKey of (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine?
The InChIKey is SDRDRLCFKOCWPF-YIDBNINZSA-N. The full InChI is InChI=1S/C15H21N/c1-2-3-7-14-9-11-15(12-10-14)8-5-4-6-13-16/h4-6,9-13H,2-3,7-8,16H2,1H3/b5-4-,13-6-.
What are the key properties of (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine?
(1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 142391741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).