(4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine

C11H19N — CID 142371278

IUPAC(4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine
SMILESC=C(C)CNC(=C)C/C(C)=C/C
InChIInChI=1S/C11H19N/c1-6-10(4)7-11(5)12-8-9(2)3/h6,12H,2,5,7-8H2,1,3-4H3/b10-6+
InChIKeyRCECKSITUGGIQF-UXBLZVDNSA-N
MW165.28 g/mol
LogP3.02
Rot. Bonds5

About (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine

(4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine (PubChem CID 142371278) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine
PubChem CID142371278
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine
SMILESC=C(C)CNC(=C)C/C(C)=C/C
InChIInChI=1S/C11H19N/c1-6-10(4)7-11(5)12-8-9(2)3/h6,12H,2,5,7-8H2,1,3-4H3/b10-6+
InChIKeyRCECKSITUGGIQF-UXBLZVDNSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene
CID 20695183
2-methylprop-2-enylurea
CID 22226516
(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine
CID 134409216
methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide
CID 166103220
2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide
CID 144630094
(2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine
CID 166837247
N-(2-methylprop-2-enyl)-5-phenylpent-1-en-2-amine
CID 172569226
4,6-dimethylocta-1,3,6-triene
CID 59970849
2-(2-methylprop-2-enylamino)ethanol
CID 19100967
(2-methylprop-2-enylamino)methanol
CID 19091971
3-methyl-5-methylidenenon-2-ene
CID 86209707
2-(ethylamino)-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 114617159

Frequently Asked Questions

What is the IUPAC name of (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine?
The IUPAC name of (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine (CID 142371278) is (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine.
What is the SMILES notation for (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine?
The canonical SMILES for (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine is C=C(C)CNC(=C)C/C(C)=C/C.
What is the InChIKey of (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine?
The InChIKey is RCECKSITUGGIQF-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H19N/c1-6-10(4)7-11(5)12-8-9(2)3/h6,12H,2,5,7-8H2,1,3-4H3/b10-6+.
What are the key properties of (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine?
(4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine has a molecular weight of 165.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine is sourced from PubChem (CID 142371278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).