(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine

C15H23N — CID 115890252

IUPAC(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1cccc(C)c1C
InChIInChI=1S/C15H23N/c1-5-6-7-11-16-14(4)15-10-8-9-12(2)13(15)3/h5-6,8-10,14,16H,7,11H2,1-4H3/b6-5+
InChIKeyBDKYIWCQBCOHBL-AATRIKPKSA-N
MW217.36 g/mol
LogP3.92
Rot. Bonds5

About (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine

(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine (PubChem CID 115890252) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine
PubChem CID115890252
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1cccc(C)c1C
InChIInChI=1S/C15H23N/c1-5-6-7-11-16-14(4)15-10-8-9-12(2)13(15)3/h5-6,8-10,14,16H,7,11H2,1-4H3/b6-5+
InChIKeyBDKYIWCQBCOHBL-AATRIKPKSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(2-chlorophenyl)ethyl]pent-3-en-1-amine
CID 115677066
N-[1-(2,3-dimethylphenyl)ethyl]prop-2-yn-1-amine
CID 115706898
N-[(1S)-1-(2-methylphenyl)ethyl]but-3-en-1-amine
CID 81374868
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210
N-pent-3-enyl-2,6-di(propan-2-yl)aniline
CID 175052075
N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
CID 115705431
(E)-N-[1-(4-chlorophenyl)ethyl]pent-3-en-1-amine
CID 115890056
(E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine
CID 115890113
(1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 97334253
2-[1-(2,3-dimethylphenyl)ethylamino]propane-1,3-diol
CID 115724144
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 107984713

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine (CID 115890252) is (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine is C/C=C/CCNC(C)c1cccc(C)c1C.
What is the InChIKey of (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine?
The InChIKey is BDKYIWCQBCOHBL-AATRIKPKSA-N. The full InChI is InChI=1S/C15H23N/c1-5-6-7-11-16-14(4)15-10-8-9-12(2)13(15)3/h5-6,8-10,14,16H,7,11H2,1-4H3/b6-5+.
What are the key properties of (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine?
(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine is sourced from PubChem (CID 115890252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).