N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline

C17H25N3 — CID 13123533

IUPACN-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline
SMILESCc1ccc(N(CC2=NCCN2)C2CCCCC2)cc1
InChIInChI=1S/C17H25N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,18,19)
InChIKeyCVOPKMOKCNOSBQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.14
Rot. Bonds4

About N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline

N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline (PubChem CID 13123533) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline.

Molecular Properties

Compound NameN-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline
PubChem CID13123533
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline
SMILESCc1ccc(N(CC2=NCCN2)C2CCCCC2)cc1
InChIInChI=1S/C17H25N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,18,19)
InChIKeyCVOPKMOKCNOSBQ-UHFFFAOYSA-N
XLogP3.14
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline?
The IUPAC name of N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline (CID 13123533) is N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline.
What is the SMILES notation for N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline?
The canonical SMILES for N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline is Cc1ccc(N(CC2=NCCN2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline?
The InChIKey is CVOPKMOKCNOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,18,19).
What are the key properties of N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline?
N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline has a molecular weight of 271.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline is sourced from PubChem (CID 13123533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).