N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine

C13H25N3O — CID 114136882

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
SMILESCc1nccn1CCNCCCCOC(C)C
InChIInChI=1S/C13H25N3O/c1-12(2)17-11-5-4-6-14-7-9-16-10-8-15-13(16)3/h8,10,12,14H,4-7,9,11H2,1-3H3
InChIKeyPRCINYWFVFOMCR-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.99
Rot. Bonds9

About N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine

N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine (PubChem CID 114136882) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
PubChem CID114136882
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
SMILESCc1nccn1CCNCCCCOC(C)C
InChIInChI=1S/C13H25N3O/c1-12(2)17-11-5-4-6-14-7-9-16-10-8-15-13(16)3/h8,10,12,14H,4-7,9,11H2,1-3H3
InChIKeyPRCINYWFVFOMCR-UHFFFAOYSA-N
XLogP1.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-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

5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
CID 107844722
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411
2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106160254
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905476
2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63966284
2-chloro-3-methoxy-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 65023643
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
CID 155737124
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 104760515

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine (CID 114136882) is N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine is Cc1nccn1CCNCCCCOC(C)C.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine?
The InChIKey is PRCINYWFVFOMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(2)17-11-5-4-6-14-7-9-16-10-8-15-13(16)3/h8,10,12,14H,4-7,9,11H2,1-3H3.
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine?
N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 114136882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).