N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine

C16H29N3 — CID 106576454

IUPACN-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC1C(C)(C)C1(C)C
InChIInChI=1S/C16H29N3/c1-7-8-9-17-14-18-12(2)10-19(14)11-13-15(3,4)16(13,5)6/h10,13H,7-9,11H2,1-6H3,(H,17,18)
InChIKeyQCSLCKYJSRZLHG-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.09
Rot. Bonds6

About N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine

N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine (PubChem CID 106576454) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
PubChem CID106576454
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC1C(C)(C)C1(C)C
InChIInChI=1S/C16H29N3/c1-7-8-9-17-14-18-12(2)10-19(14)11-13-15(3,4)16(13,5)6/h10,13H,7-9,11H2,1-6H3,(H,17,18)
InChIKeyQCSLCKYJSRZLHG-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.09
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-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571745
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106564255
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582984
N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine
CID 106579428
N-butyl-4-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557473
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine?
The IUPAC name of N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine (CID 106576454) is N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine?
The canonical SMILES for N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine is CCCCNc1nc(C)cn1CC1C(C)(C)C1(C)C.
What is the InChIKey of N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine?
The InChIKey is QCSLCKYJSRZLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-8-9-17-14-18-12(2)10-19(14)11-13-15(3,4)16(13,5)6/h10,13H,7-9,11H2,1-6H3,(H,17,18).
What are the key properties of N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine?
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106576454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).