(3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine

C16H27N — CID 89203985

IUPAC(3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine
SMILESC=C(/C=C/CCC/C=C\C=C\C)NCC(C)C
InChIInChI=1S/C16H27N/c1-5-6-7-8-9-10-11-12-13-16(4)17-14-15(2)3/h5-8,12-13,15,17H,4,9-11,14H2,1-3H3/b6-5+,8-7-,13-12+
InChIKeyBZEMHUIBLMLCFE-RQNDBNSFSA-N
MW233.40 g/mol
LogP4.60
Rot. Bonds9

About (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine

(3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine (PubChem CID 89203985) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine.

Molecular Properties

Compound Name(3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine
PubChem CID89203985
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine
SMILESC=C(/C=C/CCC/C=C\C=C\C)NCC(C)C
InChIInChI=1S/C16H27N/c1-5-6-7-8-9-10-11-12-13-16(4)17-14-15(2)3/h5-8,12-13,15,17H,4,9-11,14H2,1-3H3/b6-5+,8-7-,13-12+
InChIKeyBZEMHUIBLMLCFE-RQNDBNSFSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.60
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'}

Analyze (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine with MolForge

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Related Compounds

(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
CID 10776149
(3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine
CID 145102925
(7Z,9E)-4-ethenyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine
CID 143834869
N-buta-1,3-dien-2-yl-2-methylpropan-1-amine
CID 139321589
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
2-(2-methylpropylamino)prop-2-enal
CID 87965077
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(3E,6Z,8E)-N-(2-methylpropyl)deca-3,6,8-trienamide
CID 58249820
(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
CID 87311173
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228

Frequently Asked Questions

What is the IUPAC name of (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine?
The IUPAC name of (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine (CID 89203985) is (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine.
What is the SMILES notation for (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine?
The canonical SMILES for (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine is C=C(/C=C/CCC/C=C\C=C\C)NCC(C)C.
What is the InChIKey of (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine?
The InChIKey is BZEMHUIBLMLCFE-RQNDBNSFSA-N. The full InChI is InChI=1S/C16H27N/c1-5-6-7-8-9-10-11-12-13-16(4)17-14-15(2)3/h5-8,12-13,15,17H,4,9-11,14H2,1-3H3/b6-5+,8-7-,13-12+.
What are the key properties of (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine?
(3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine is sourced from PubChem (CID 89203985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).