2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine

C17H31N3 — CID 79744341

IUPAC2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccnc1CC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C17H31N3/c1-5-11-20-12-10-19-15(20)13-17(18)9-7-6-8-14(17)16(2,3)4/h10,12,14H,5-9,11,13,18H2,1-4H3
InChIKeyWWSCZRLWWAFJRQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.77
Rot. Bonds4

About 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine

2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79744341) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID79744341
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccnc1CC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C17H31N3/c1-5-11-20-12-10-19-15(20)13-17(18)9-7-6-8-14(17)16(2,3)4/h10,12,14H,5-9,11,13,18H2,1-4H3
InChIKeyWWSCZRLWWAFJRQ-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[(1-ethylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744542
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine
CID 79744991
1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189998
2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
CID 79761287
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752511
2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127480
1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 79744545
2-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79760679
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79744452

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine (CID 79744341) is 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine is CCCn1ccnc1CC1(N)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is WWSCZRLWWAFJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-11-20-12-10-19-15(20)13-17(18)9-7-6-8-14(17)16(2,3)4/h10,12,14H,5-9,11,13,18H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79744341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).