N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine

C17H27N — CID 79599102

IUPACN-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H27N/c1-6-18-9-7-8-13(2)12-17-15(4)10-14(3)11-16(17)5/h8,10-11,18H,6-7,9,12H2,1-5H3
InChIKeySXWKXQHODGMVPN-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.10
Rot. Bonds6

About N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine

N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine (PubChem CID 79599102) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
PubChem CID79599102
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H27N/c1-6-18-9-7-8-13(2)12-17-15(4)10-14(3)11-16(17)5/h8,10-11,18H,6-7,9,12H2,1-5H3
InChIKeySXWKXQHODGMVPN-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.10
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'}

Analyze N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nortriptyline
CID 4543
Nortriptyline Hydrochloride
CID 441358
2,5-Dimethylbenzeneethanamine
CID 211415
Norcyclobenzaprine
CID 9918
Enefexine
CID 208916
Litracen
CID 82730
3-(3,5-Dimethylphenyl)piperidine
CID 10035413
3-(3,4-Dimethylphenyl)piperidine
CID 10103976
3-(2,3-Dimethylphenyl)piperidine
CID 10679213
2-(4-Tert-butyl-2,6-dimethylphenyl)ethan-1-amine
CID 2574642
4-(2,3-Dimethylphenyl)piperidine hydrochloride
CID 70683125
2,5-Dimethylamphetamine
CID 115412

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine (CID 79599102) is N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine is CCNCCC=C(C)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine?
The InChIKey is SXWKXQHODGMVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-6-18-9-7-8-13(2)12-17-15(4)10-14(3)11-16(17)5/h8,10-11,18H,6-7,9,12H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine?
N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.10, 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-(2,4,6-trimethylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 79599102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).