1,12-diphenyldodeca-3,9-diene-2,11-diamine

C24H32N2 — CID 78292163

IUPAC1,12-diphenyldodeca-3,9-diene-2,11-diamine
SMILESNC(C=CCCCCC=CC(N)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H32N2/c25-23(19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)20-22-15-9-6-10-16-22/h5-18,23-24H,1-4,19-20,25-26H2
InChIKeyTWYOWZUUOPMQAM-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.80
Rot. Bonds11

About 1,12-diphenyldodeca-3,9-diene-2,11-diamine

1,12-diphenyldodeca-3,9-diene-2,11-diamine (PubChem CID 78292163) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1,12-diphenyldodeca-3,9-diene-2,11-diamine.

Molecular Properties

Compound Name1,12-diphenyldodeca-3,9-diene-2,11-diamine
PubChem CID78292163
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name1,12-diphenyldodeca-3,9-diene-2,11-diamine
SMILESNC(C=CCCCCC=CC(N)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H32N2/c25-23(19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)20-22-15-9-6-10-16-22/h5-18,23-24H,1-4,19-20,25-26H2
InChIKeyTWYOWZUUOPMQAM-UHFFFAOYSA-N
XLogP4.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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CID 123901832
1,4-diphenylbut-3-en-2-amine
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(2S,3E)-6-methyl-1-phenylhepta-3,5-dien-2-amine
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(2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride
CID 171320191
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
(E)-7-amino-7-phenylhept-5-enenitrile
CID 24973745
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(1R)-1-bromo-2-phenylethanamine
CID 164702405
14-(14-oxo-1-phenylmethoxytetradec-2-enoxy)-14-phenylmethoxytetradec-12-enal
CID 162350506
[1-(13,13-dimethoxy-1-phenylmethoxytridec-2-enoxy)-13,13-dimethoxytridec-2-enoxy]methylbenzene
CID 163287823
(2R)-2-methyl-3-phenylpropan-1-imine
CID 59990579

Frequently Asked Questions

What is the IUPAC name of 1,12-diphenyldodeca-3,9-diene-2,11-diamine?
The IUPAC name of 1,12-diphenyldodeca-3,9-diene-2,11-diamine (CID 78292163) is 1,12-diphenyldodeca-3,9-diene-2,11-diamine.
What is the SMILES notation for 1,12-diphenyldodeca-3,9-diene-2,11-diamine?
The canonical SMILES for 1,12-diphenyldodeca-3,9-diene-2,11-diamine is NC(C=CCCCCC=CC(N)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,12-diphenyldodeca-3,9-diene-2,11-diamine?
The InChIKey is TWYOWZUUOPMQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c25-23(19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)20-22-15-9-6-10-16-22/h5-18,23-24H,1-4,19-20,25-26H2.
What are the key properties of 1,12-diphenyldodeca-3,9-diene-2,11-diamine?
1,12-diphenyldodeca-3,9-diene-2,11-diamine has a molecular weight of 348.53 g/mol, XLogP of 4.80, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-diphenyldodeca-3,9-diene-2,11-diamine is sourced from PubChem (CID 78292163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).