N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine

C11H19N3 — CID 2845704

IUPACN-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1nc[nH]c1C
InChIInChI=1S/C11H19N3/c1-5-14(6-9(2)3)7-11-10(4)12-8-13-11/h8H,2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyVOOFXNKOZVZASZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.12
Rot. Bonds5

About N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine

N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine (PubChem CID 2845704) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine
PubChem CID2845704
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1nc[nH]c1C
InChIInChI=1S/C11H19N3/c1-5-14(6-9(2)3)7-11-10(4)12-8-13-11/h8H,2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyVOOFXNKOZVZASZ-UHFFFAOYSA-N
XLogP2.12
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-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

N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 62747971
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine
CID 131949926
4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 59728118
N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine
CID 79354500
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
CID 3817840
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 112796331
[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol
CID 115879804
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
4-(2-methoxyethyl)-5-methyl-1H-imidazole
CID 173053461
N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine
CID 174197113
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 107555693
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N',N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]ethane-1,2-diamine
CID 102599835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine (CID 2845704) is N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine is C=C(C)CN(CC)Cc1nc[nH]c1C.
What is the InChIKey of N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is VOOFXNKOZVZASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-14(6-9(2)3)7-11-10(4)12-8-13-11/h8H,2,5-7H2,1,3-4H3,(H,12,13).
What are the key properties of N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine?
N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 2845704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).