N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine

C15H27N3 — CID 106577493

IUPACN-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine
SMILESCCCCCC(C)(C)Cn1ccnc1NC1CC1
InChIInChI=1S/C15H27N3/c1-4-5-6-9-15(2,3)12-18-11-10-16-14(18)17-13-7-8-13/h10-11,13H,4-9,12H2,1-3H3,(H,16,17)
InChIKeyIFMHOCAPPCMTEZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.06
Rot. Bonds8

About N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine

N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine (PubChem CID 106577493) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine
PubChem CID106577493
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine
SMILESCCCCCC(C)(C)Cn1ccnc1NC1CC1
InChIInChI=1S/C15H27N3/c1-4-5-6-9-15(2,3)12-18-11-10-16-14(18)17-13-7-8-13/h10-11,13H,4-9,12H2,1-3H3,(H,16,17)
InChIKeyIFMHOCAPPCMTEZ-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine
CID 106577487
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
N-cyclohexyl-1-(2,2-dimethylpropyl)imidazol-2-amine
CID 106563673
N-cyclopropyl-1-(2-methylbutyl)imidazol-2-amine
CID 106570372
N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
CID 106581825
N-cyclopropyl-1-[(1-ethylpiperidin-4-yl)methyl]imidazol-2-amine
CID 106566972
1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine
CID 106566481
1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582117
1-(3-methoxypropyl)-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560148
N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine
CID 106582100
N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580550

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine (CID 106577493) is N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine is CCCCCC(C)(C)Cn1ccnc1NC1CC1.
What is the InChIKey of N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine?
The InChIKey is IFMHOCAPPCMTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-5-6-9-15(2,3)12-18-11-10-16-14(18)17-13-7-8-13/h10-11,13H,4-9,12H2,1-3H3,(H,16,17).
What are the key properties of N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine?
N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,2-dimethylheptyl)imidazol-2-amine is sourced from PubChem (CID 106577493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).