N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline

C16H23N5 — CID 142994711

IUPACN-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline
SMILESCn1ccnc1NNc1ccccc1NC1CCCCC1
InChIInChI=1S/C16H23N5/c1-21-12-11-17-16(21)20-19-15-10-6-5-9-14(15)18-13-7-3-2-4-8-13/h5-6,9-13,18-19H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyNCTASLLOYKPVPR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.60
Rot. Bonds5

About N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline

N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline (PubChem CID 142994711) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline
PubChem CID142994711
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline
SMILESCn1ccnc1NNc1ccccc1NC1CCCCC1
InChIInChI=1S/C16H23N5/c1-21-12-11-17-16(21)20-19-15-10-6-5-9-14(15)18-13-7-3-2-4-8-13/h5-6,9-13,18-19H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyNCTASLLOYKPVPR-UHFFFAOYSA-N
XLogP3.60
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline?
The IUPAC name of N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline (CID 142994711) is N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline.
What is the SMILES notation for N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline?
The canonical SMILES for N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline is Cn1ccnc1NNc1ccccc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline?
The InChIKey is NCTASLLOYKPVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-21-12-11-17-16(21)20-19-15-10-6-5-9-14(15)18-13-7-3-2-4-8-13/h5-6,9-13,18-19H,2-4,7-8H2,1H3,(H,17,20).
What are the key properties of N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline?
N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(1-methylimidazol-2-yl)hydrazinyl]aniline is sourced from PubChem (CID 142994711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).