N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C17H31N3 — CID 61071274

IUPACN-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCCCn2ccnc2)C1
InChIInChI=1S/C17H31N3/c1-14(2)16-7-6-15(3)12-17(16)19-8-4-5-10-20-11-9-18-13-20/h9,11,13-17,19H,4-8,10,12H2,1-3H3
InChIKeyJMVSXKTWUSQMFJ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.71
Rot. Bonds7

About N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 61071274) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID61071274
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCCCn2ccnc2)C1
InChIInChI=1S/C17H31N3/c1-14(2)16-7-6-15(3)12-17(16)19-8-4-5-10-20-11-9-18-13-20/h9,11,13-17,19H,4-8,10,12H2,1-3H3
InChIKeyJMVSXKTWUSQMFJ-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 100841944
5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 104629202
N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 114158519
N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine
CID 115652890
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole
CID 122394696
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910
N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364522
5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 113326984
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 61071274) is N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCCCCn2ccnc2)C1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is JMVSXKTWUSQMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14(2)16-7-6-15(3)12-17(16)19-8-4-5-10-20-11-9-18-13-20/h9,11,13-17,19H,4-8,10,12H2,1-3H3.
What are the key properties of N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 61071274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).