(3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine

C15H25N — CID 126571308

IUPAC(3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine
SMILESC=C/C(=C\CC)C(=C)N(C)C(=C)C(C)(C)C
InChIInChI=1S/C15H25N/c1-9-11-14(10-2)12(3)16(8)13(4)15(5,6)7/h10-11H,2-4,9H2,1,5-8H3/b14-11+
InChIKeyFHNIJPQLONACFQ-SDNWHVSQSA-N
MW219.37 g/mol
LogP4.51
Rot. Bonds5

About (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine

(3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine (PubChem CID 126571308) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine
PubChem CID126571308
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine
SMILESC=C/C(=C\CC)C(=C)N(C)C(=C)C(C)(C)C
InChIInChI=1S/C15H25N/c1-9-11-14(10-2)12(3)16(8)13(4)15(5,6)7/h10-11H,2-4,9H2,1,5-8H3/b14-11+
InChIKeyFHNIJPQLONACFQ-SDNWHVSQSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine (CID 126571308) is (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine is C=C/C(=C\CC)C(=C)N(C)C(=C)C(C)(C)C.
What is the InChIKey of (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine?
The InChIKey is FHNIJPQLONACFQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H25N/c1-9-11-14(10-2)12(3)16(8)13(4)15(5,6)7/h10-11H,2-4,9H2,1,5-8H3/b14-11+.
What are the key properties of (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine?
(3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine has a molecular weight of 219.37 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(3,3-dimethylbut-1-en-2-yl)-3-ethenyl-N-methylhexa-1,3-dien-2-amine is sourced from PubChem (CID 126571308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).