N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine

C17H23N3 — CID 43722407

IUPACN-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
SMILESc1ncc(-c2ccc(NC3CCCCCCC3)cc2)[nH]1
InChIInChI=1S/C17H23N3/c1-2-4-6-15(7-5-3-1)20-16-10-8-14(9-11-16)17-12-18-13-19-17/h8-13,15,20H,1-7H2,(H,18,19)
InChIKeyHNCBCWWNHTWSKN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.60
Rot. Bonds3

About N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine

N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine (PubChem CID 43722407) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
PubChem CID43722407
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
SMILESc1ncc(-c2ccc(NC3CCCCCCC3)cc2)[nH]1
InChIInChI=1S/C17H23N3/c1-2-4-6-15(7-5-3-1)20-16-10-8-14(9-11-16)17-12-18-13-19-17/h8-13,15,20H,1-7H2,(H,18,19)
InChIKeyHNCBCWWNHTWSKN-UHFFFAOYSA-N
XLogP4.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-(1H-imidazol-5-yl)aniline
CID 43722405
N-cyclopropyl-4-(1H-imidazol-5-yl)aniline
CID 103439039
N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084298
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 43722508
N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline
CID 43786474
N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline
CID 64501713
N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110471674
N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
CID 64760237
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
CID 91956301
N-[4-(1H-imidazol-5-yl)phenyl]-5,5-dimethylthian-3-amine
CID 79957974
N-[4-(1H-imidazol-5-yl)phenyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865255
N-(1-cyclopropylpropan-2-yl)-4-(1H-imidazol-5-yl)aniline
CID 113489788

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine (CID 43722407) is N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine is c1ncc(-c2ccc(NC3CCCCCCC3)cc2)[nH]1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine?
The InChIKey is HNCBCWWNHTWSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-4-6-15(7-5-3-1)20-16-10-8-14(9-11-16)17-12-18-13-19-17/h8-13,15,20H,1-7H2,(H,18,19).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine?
N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine has a molecular weight of 269.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine is sourced from PubChem (CID 43722407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).