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

C16H29N3 — CID 71057470

IUPAC[4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine
SMILESCCCc1cn(C(C)CC2CCC(CN)CC2)cn1
InChIInChI=1S/C16H29N3/c1-3-4-16-11-19(12-18-16)13(2)9-14-5-7-15(10-17)8-6-14/h11-15H,3-10,17H2,1-2H3
InChIKeyYLUWMRRVTJYFSV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.55
Rot. Bonds6

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

[4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine (PubChem CID 71057470) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is [4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine
PubChem CID71057470
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name[4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine
SMILESCCCc1cn(C(C)CC2CCC(CN)CC2)cn1
InChIInChI=1S/C16H29N3/c1-3-4-16-11-19(12-18-16)13(2)9-14-5-7-15(10-17)8-6-14/h11-15H,3-10,17H2,1-2H3
InChIKeyYLUWMRRVTJYFSV-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine?
The IUPAC name of [4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine (CID 71057470) is [4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine is CCCc1cn(C(C)CC2CCC(CN)CC2)cn1.
What is the InChIKey of [4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine?
The InChIKey is YLUWMRRVTJYFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-4-16-11-19(12-18-16)13(2)9-14-5-7-15(10-17)8-6-14/h11-15H,3-10,17H2,1-2H3.
What are the key properties of [4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine?
[4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-propylimidazol-1-yl)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 71057470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).