N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine

C17H31N3 — CID 81029967

IUPACN-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
SMILESCCCC1CCC(CNC)C(c2nccn2CCC)C1
InChIInChI=1S/C17H31N3/c1-4-6-14-7-8-15(13-18-3)16(12-14)17-19-9-11-20(17)10-5-2/h9,11,14-16,18H,4-8,10,12-13H2,1-3H3
InChIKeyFPTDWYCBHWKLEC-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.81
Rot. Bonds7

About N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine

N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine (PubChem CID 81029967) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
PubChem CID81029967
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
SMILESCCCC1CCC(CNC)C(c2nccn2CCC)C1
InChIInChI=1S/C17H31N3/c1-4-6-14-7-8-15(13-18-3)16(12-14)17-19-9-11-20(17)10-5-2/h9,11,14-16,18H,4-8,10,12-13H2,1-3H3
InChIKeyFPTDWYCBHWKLEC-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine (CID 81029967) is N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine is CCCC1CCC(CNC)C(c2nccn2CCC)C1.
What is the InChIKey of N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine?
The InChIKey is FPTDWYCBHWKLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-6-14-7-8-15(13-18-3)16(12-14)17-19-9-11-20(17)10-5-2/h9,11,14-16,18H,4-8,10,12-13H2,1-3H3.
What are the key properties of N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine?
N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine has a molecular weight of 277.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81029967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).