(E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine

C17H25N — CID 143737435

IUPAC(E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine
SMILESC=CN/C=C(\C)CCCCc1ccc(C)cc1C
InChIInChI=1S/C17H25N/c1-5-18-13-15(3)8-6-7-9-17-11-10-14(2)12-16(17)4/h5,10-13,18H,1,6-9H2,2-4H3/b15-13+
InChIKeyDKSKAAGDHVDMIT-FYWRMAATSA-N
MW243.39 g/mol
LogP4.65
Rot. Bonds7

About (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine

(E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine (PubChem CID 143737435) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine
PubChem CID143737435
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine
SMILESC=CN/C=C(\C)CCCCc1ccc(C)cc1C
InChIInChI=1S/C17H25N/c1-5-18-13-15(3)8-6-7-9-17-11-10-14(2)12-16(17)4/h5,10-13,18H,1,6-9H2,2-4H3/b15-13+
InChIKeyDKSKAAGDHVDMIT-FYWRMAATSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
CID 116845214
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031
2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene
CID 123452679
3-(2,4-dimethylphenyl)-N-iodopropan-1-amine;ethane
CID 145450537
but-1-ene;2,4-dimethyl-1-propylbenzene;ethane
CID 165130204
N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
CID 65308446
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
CID 174085022
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
CID 115176935

Frequently Asked Questions

What is the IUPAC name of (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine?
The IUPAC name of (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine (CID 143737435) is (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine.
What is the SMILES notation for (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine?
The canonical SMILES for (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine is C=CN/C=C(\C)CCCCc1ccc(C)cc1C.
What is the InChIKey of (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine?
The InChIKey is DKSKAAGDHVDMIT-FYWRMAATSA-N. The full InChI is InChI=1S/C17H25N/c1-5-18-13-15(3)8-6-7-9-17-11-10-14(2)12-16(17)4/h5,10-13,18H,1,6-9H2,2-4H3/b15-13+.
What are the key properties of (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine?
(E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine is sourced from PubChem (CID 143737435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).