N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine

C15H23N — CID 79599356

IUPACN-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1ccccc1C
InChIInChI=1S/C15H23N/c1-4-16-11-7-8-13(2)12-15-10-6-5-9-14(15)3/h5-6,8-10,16H,4,7,11-12H2,1-3H3
InChIKeyGNOBSOSREQBZHI-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine

N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine (PubChem CID 79599356) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
PubChem CID79599356
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1ccccc1C
InChIInChI=1S/C15H23N/c1-4-16-11-7-8-13(2)12-15-10-6-5-9-14(15)3/h5-6,8-10,16H,4,7,11-12H2,1-3H3
InChIKeyGNOBSOSREQBZHI-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.48
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

4-methyl-5-(2-methylphenyl)-N-propylpent-3-en-1-amine
CID 79599626
N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599249
N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
CID 79599102
(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 112654998
3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79599485
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
CID 79598478
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598459
5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598967
5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79599098
4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79598454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine (CID 79599356) is N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine is CCNCCC=C(C)Cc1ccccc1C.
What is the InChIKey of N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine?
The InChIKey is GNOBSOSREQBZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-16-11-7-8-13(2)12-15-10-6-5-9-14(15)3/h5-6,8-10,16H,4,7,11-12H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine?
N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 79599356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).