N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine

C13H25N3 — CID 120970289

IUPACN-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1CCCCCCC1
InChIInChI=1S/C13H25N3/c1-16-10-9-14-13(16)15-11-12-7-5-3-2-4-6-8-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyLHJFDLXOKCNPQQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.24
Rot. Bonds2

About N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine

N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120970289) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120970289
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1CCCCCCC1
InChIInChI=1S/C13H25N3/c1-16-10-9-14-13(16)15-11-12-7-5-3-2-4-6-8-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyLHJFDLXOKCNPQQ-UHFFFAOYSA-N
XLogP2.24
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine (CID 120970289) is N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCC1CCCCCCC1.
What is the InChIKey of N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LHJFDLXOKCNPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-16-10-9-14-13(16)15-11-12-7-5-3-2-4-6-8-12/h12H,2-11H2,1H3,(H,14,15).
What are the key properties of N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).