1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine

C16H30N4O — CID 106565251

IUPAC1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCC1CCCCN1C
InChIInChI=1S/C16H30N4O/c1-4-21-11-7-10-20-13-14(2)18-16(20)17-12-15-8-5-6-9-19(15)3/h13,15H,4-12H2,1-3H3,(H,17,18)
InChIKeyXHNIUHCYKQQJAN-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.51
Rot. Bonds8

About 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine

1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine (PubChem CID 106565251) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
PubChem CID106565251
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCC1CCCCN1C
InChIInChI=1S/C16H30N4O/c1-4-21-11-7-10-20-13-14(2)18-16(20)17-12-15-8-5-6-9-19(15)3/h13,15H,4-12H2,1-3H3,(H,17,18)
InChIKeyXHNIUHCYKQQJAN-UHFFFAOYSA-N
XLogP2.51
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-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

1-(3-ethoxypropyl)-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]imidazol-2-amine
CID 106576043
1-cyclohexyl-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565250
N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571255
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106570399
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583088
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563052
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106574101
N,4-dimethyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565242

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine (CID 106565251) is 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine is CCOCCCn1cc(C)nc1NCC1CCCCN1C.
What is the InChIKey of 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
The InChIKey is XHNIUHCYKQQJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-21-11-7-10-20-13-14(2)18-16(20)17-12-15-8-5-6-9-19(15)3/h13,15H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106565251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).