(3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine

C16H25N — CID 170223795

IUPAC(3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine
SMILESC=C(C)/C=C(CC(=C)C)\C(C)=C(/C)C(=C)NC
InChIInChI=1S/C16H25N/c1-11(2)9-16(10-12(3)4)14(6)13(5)15(7)17-8/h9,17H,1,3,7,10H2,2,4-6,8H3/b14-13+,16-9-
InChIKeyDNEWEUDBKKAOKB-CTXZKPBASA-N
MW231.38 g/mol
LogP4.52
Rot. Bonds6

About (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine

(3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine (PubChem CID 170223795) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine.

Molecular Properties

Compound Name(3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine
PubChem CID170223795
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine
SMILESC=C(C)/C=C(CC(=C)C)\C(C)=C(/C)C(=C)NC
InChIInChI=1S/C16H25N/c1-11(2)9-16(10-12(3)4)14(6)13(5)15(7)17-8/h9,17H,1,3,7,10H2,2,4-6,8H3/b14-13+,16-9-
InChIKeyDNEWEUDBKKAOKB-CTXZKPBASA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-N,3-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 143723048
(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene
CID 143383124
(3E)-4-chloro-N,3-dimethylhexa-1,3,5-trien-2-amine
CID 142239286
(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
CID 143240550
(3E)-3-methoxycarbonyl-5-methylhexa-3,5-dienoic acid
CID 14288683
(3E)-4-(diethylamino)-5-methylhexa-3,5-dien-2-one
CID 121220213
1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine
CID 166992049
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860
(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
CID 164881280
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144678722

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine?
The IUPAC name of (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine (CID 170223795) is (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine.
What is the SMILES notation for (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine?
The canonical SMILES for (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine is C=C(C)/C=C(CC(=C)C)\C(C)=C(/C)C(=C)NC.
What is the InChIKey of (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine?
The InChIKey is DNEWEUDBKKAOKB-CTXZKPBASA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)9-16(10-12(3)4)14(6)13(5)15(7)17-8/h9,17H,1,3,7,10H2,2,4-6,8H3/b14-13+,16-9-.
What are the key properties of (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine?
(3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine has a molecular weight of 231.38 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,3,4,7-tetramethyl-5-(2-methylprop-2-enyl)octa-1,3,5,7-tetraen-2-amine is sourced from PubChem (CID 170223795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).