1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine

C16H29N3 — CID 80603549

IUPAC1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)C1CCCCCCC1
InChIInChI=1S/C16H29N3/c1-3-12-19-13-11-18-16(19)15(17-2)14-9-7-5-4-6-8-10-14/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyLVNAUZZVSIGDJZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds5

About 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine

1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 80603549) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
PubChem CID80603549
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)C1CCCCCCC1
InChIInChI=1S/C16H29N3/c1-3-12-19-13-11-18-16(19)15(17-2)14-9-7-5-4-6-8-10-14/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyLVNAUZZVSIGDJZ-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine (CID 80603549) is 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(NC)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is LVNAUZZVSIGDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-12-19-13-11-18-16(19)15(17-2)14-9-7-5-4-6-8-10-14/h11,13-15,17H,3-10,12H2,1-2H3.
What are the key properties of 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 80603549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).