1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine

C12H23N3 — CID 106581758

IUPAC1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1CCC(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-7-13-11-14-8-10-15(11)9-6-12(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,13,14)
InChIKeyLJMCMJCMPRKVLJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.14
Rot. Bonds5

About 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine

1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine (PubChem CID 106581758) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine
PubChem CID106581758
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1CCC(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-7-13-11-14-8-10-15(11)9-6-12(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,13,14)
InChIKeyLJMCMJCMPRKVLJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropylethyl)-N-propylimidazol-2-amine
CID 106575826
1-[2-(diethylamino)ethyl]-N-propylimidazol-2-amine
CID 106555282
1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine
CID 106581408
1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
CID 106565580
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-[2-(4-methylcyclohexyl)ethyl]-1-propylimidazol-2-amine
CID 106574294
1-[(4-methylcyclohexyl)methyl]-N-propylimidazol-2-amine
CID 106571771
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine?
The IUPAC name of 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine (CID 106581758) is 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine is CCCNc1nccn1CCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine?
The InChIKey is LJMCMJCMPRKVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-13-11-14-8-10-15(11)9-6-12(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,13,14).
What are the key properties of 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine?
1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine is sourced from PubChem (CID 106581758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).