3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine

C22H39N3 — CID 123666989

IUPAC3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC=C(C)c1nc(CNC2(CC(C)C)CC(C)CC(C)C2)[nH]c1C
InChIInChI=1S/C22H39N3/c1-8-9-18(6)21-19(7)24-20(25-21)14-23-22(11-15(2)3)12-16(4)10-17(5)13-22/h9,15-17,23H,8,10-14H2,1-7H3,(H,24,25)
InChIKeyVTCOJKPTUIDIPN-UHFFFAOYSA-N
MW345.58 g/mol
LogP5.86
Rot. Bonds7

About 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine

3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 123666989) has the molecular formula C22H39N3 and a molecular weight of 345.58 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine
PubChem CID123666989
Molecular FormulaC22H39N3
Molecular Weight345.58 g/mol
Exact Mass345.31
IUPAC Name3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC=C(C)c1nc(CNC2(CC(C)C)CC(C)CC(C)C2)[nH]c1C
InChIInChI=1S/C22H39N3/c1-8-9-18(6)21-19(7)24-20(25-21)14-23-22(11-15(2)3)12-16(4)10-17(5)13-22/h9,15-17,23H,8,10-14H2,1-7H3,(H,24,25)
InChIKeyVTCOJKPTUIDIPN-UHFFFAOYSA-N
XLogP5.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.58
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine (CID 123666989) is 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine is CCC=C(C)c1nc(CNC2(CC(C)C)CC(C)CC(C)C2)[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is VTCOJKPTUIDIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3/c1-8-9-18(6)21-19(7)24-20(25-21)14-23-22(11-15(2)3)12-16(4)10-17(5)13-22/h9,15-17,23H,8,10-14H2,1-7H3,(H,24,25).
What are the key properties of 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine?
3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 345.58 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(5-methyl-4-pent-2-en-2-yl-1H-imidazol-2-yl)methyl]-1-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 123666989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).