9-phenyldodeca-2,6,9-trien-1-amine

C18H25N — CID 54397231

IUPAC9-phenyldodeca-2,6,9-trien-1-amine
SMILESCCC=C(CC=CCCC=CCN)c1ccccc1
InChIInChI=1S/C18H25N/c1-2-12-17(18-14-9-7-10-15-18)13-8-5-3-4-6-11-16-19/h5-12,14-15H,2-4,13,16,19H2,1H3
InChIKeyVKVYGFACNCQJGG-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.72
Rot. Bonds8

About 9-phenyldodeca-2,6,9-trien-1-amine

9-phenyldodeca-2,6,9-trien-1-amine (PubChem CID 54397231) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 9-phenyldodeca-2,6,9-trien-1-amine.

Molecular Properties

Compound Name9-phenyldodeca-2,6,9-trien-1-amine
PubChem CID54397231
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name9-phenyldodeca-2,6,9-trien-1-amine
SMILESCCC=C(CC=CCCC=CCN)c1ccccc1
InChIInChI=1S/C18H25N/c1-2-12-17(18-14-9-7-10-15-18)13-8-5-3-4-6-11-16-19/h5-12,14-15H,2-4,13,16,19H2,1H3
InChIKeyVKVYGFACNCQJGG-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenylpent-2-en-1-amine
CID 63968007
[(Z)-non-3-en-4-yl]benzene
CID 101008148
(Z)-2-amino-4-phenylhept-4-en-1-ol
CID 170892101
[(Z)-3-phenylhex-3-enyl] prop-2-enoate
CID 142724131
1-bromobut-1-enylbenzene
CID 73187599
1-methoxybut-1-enylbenzene
CID 69305429
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
(Z)-2-phenylbut-1-en-1-amine
CID 142213019
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
2-hydroxy-1-phenylpent-2-en-1-one
CID 154192343
triethyl-[(1E,4E)-2-phenylhexa-1,4-dienyl]germane
CID 102471462
N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide
CID 145334764

Frequently Asked Questions

What is the IUPAC name of 9-phenyldodeca-2,6,9-trien-1-amine?
The IUPAC name of 9-phenyldodeca-2,6,9-trien-1-amine (CID 54397231) is 9-phenyldodeca-2,6,9-trien-1-amine.
What is the SMILES notation for 9-phenyldodeca-2,6,9-trien-1-amine?
The canonical SMILES for 9-phenyldodeca-2,6,9-trien-1-amine is CCC=C(CC=CCCC=CCN)c1ccccc1.
What is the InChIKey of 9-phenyldodeca-2,6,9-trien-1-amine?
The InChIKey is VKVYGFACNCQJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-12-17(18-14-9-7-10-15-18)13-8-5-3-4-6-11-16-19/h5-12,14-15H,2-4,13,16,19H2,1H3.
What are the key properties of 9-phenyldodeca-2,6,9-trien-1-amine?
9-phenyldodeca-2,6,9-trien-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyldodeca-2,6,9-trien-1-amine is sourced from PubChem (CID 54397231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).