(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine

C13H23N — CID 134409216

IUPAC(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine
SMILESC=C(CC)NC/C(C)=C/C=C(\C)CC
InChIInChI=1S/C13H23N/c1-6-11(3)8-9-12(4)10-14-13(5)7-2/h8-9,14H,5-7,10H2,1-4H3/b11-8+,12-9+
InChIKeyDIEHPLWGCWGWLW-HZOWPXDZSA-N
MW193.33 g/mol
LogP3.80
Rot. Bonds6

About (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine

(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine (PubChem CID 134409216) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine
PubChem CID134409216
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine
SMILESC=C(CC)NC/C(C)=C/C=C(\C)CC
InChIInChI=1S/C13H23N/c1-6-11(3)8-9-12(4)10-14-13(5)7-2/h8-9,14H,5-7,10H2,1-4H3/b11-8+,12-9+
InChIKeyDIEHPLWGCWGWLW-HZOWPXDZSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethylhepta-2,4-diene
CID 54097255
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
(3E,5Z)-N,6-dimethylocta-1,3,5-trien-3-amine
CID 155329914
(2Z,5E,7Z)-5,8-dimethyl-4-methylidenedeca-2,5,7-triene
CID 143769871
(4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine
CID 142371278
5-methyl-2-methylsulfanylhepta-2,4-diene
CID 123877694
(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
CID 166829652
(2E,4E)-2-ethenyl-5-methylhepta-2,4-dien-1-amine
CID 166720058
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
(1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine
CID 143332145
(2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine
CID 146535612
(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine
CID 137427614

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine (CID 134409216) is (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine is C=C(CC)NC/C(C)=C/C=C(\C)CC.
What is the InChIKey of (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine?
The InChIKey is DIEHPLWGCWGWLW-HZOWPXDZSA-N. The full InChI is InChI=1S/C13H23N/c1-6-11(3)8-9-12(4)10-14-13(5)7-2/h8-9,14H,5-7,10H2,1-4H3/b11-8+,12-9+.
What are the key properties of (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine?
(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine is sourced from PubChem (CID 134409216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).