(3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine

C17H23N — CID 89274355

IUPAC(3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine
SMILESC=C(/C=C/C=C\CCC#CC#CC)NCC(C)C
InChIInChI=1S/C17H23N/c1-5-6-7-8-9-10-11-12-13-14-17(4)18-15-16(2)3/h11-14,16,18H,4,9-10,15H2,1-3H3/b12-11-,14-13+
InChIKeyYFGHHAWSBVOJOT-RCWDKCQFSA-N
MW241.38 g/mol
LogP3.66
Rot. Bonds7

About (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine

(3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine (PubChem CID 89274355) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine.

Molecular Properties

Compound Name(3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine
PubChem CID89274355
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine
SMILESC=C(/C=C/C=C\CCC#CC#CC)NCC(C)C
InChIInChI=1S/C17H23N/c1-5-6-7-8-9-10-11-12-13-14-17(4)18-15-16(2)3/h11-14,16,18H,4,9-10,15H2,1-3H3/b12-11-,14-13+
InChIKeyYFGHHAWSBVOJOT-RCWDKCQFSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine
CID 135269196
(2Z,4E)-4-fluoro-6-methyl-N-(3-methylbuta-1,3-dien-2-yl)octa-2,4-dien-7-yn-1-amine
CID 146537527
(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine
CID 166651598
(6E)-N-ethenyl-8-fluoro-3-methyl-6-(2-methylprop-1-enyl)nona-1,6,8-trien-4-yn-2-amine
CID 143512449
6-Propan-2-yl-1,2-dihydropyridine
CID 19606152
N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,5-dien-1-amine
CID 58121899
(4Z)-3-methylidene-N-propylhexa-1,4-dien-2-amine
CID 88586508
(4R)-N-butyl-4-ethenyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
CID 88988437
3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 89029099
5-methyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-2,5-dihydro-1H-azepine
CID 89171179
(3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine
CID 89203845
(3E,5Z)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine
CID 89203949

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine?
The IUPAC name of (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine (CID 89274355) is (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine.
What is the SMILES notation for (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine?
The canonical SMILES for (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine is C=C(/C=C/C=C\CCC#CC#CC)NCC(C)C.
What is the InChIKey of (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine?
The InChIKey is YFGHHAWSBVOJOT-RCWDKCQFSA-N. The full InChI is InChI=1S/C17H23N/c1-5-6-7-8-9-10-11-12-13-14-17(4)18-15-16(2)3/h11-14,16,18H,4,9-10,15H2,1-3H3/b12-11-,14-13+.
What are the key properties of (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine?
(3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine has a molecular weight of 241.38 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-(2-methylpropyl)trideca-1,3,5-trien-9,11-diyn-2-amine is sourced from PubChem (CID 89274355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).