N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline

C16H24ClN — CID 115215489

IUPACN-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
SMILESCN(CCCCl)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H24ClN/c1-18(13-5-12-17)16-10-8-15(9-11-16)14-6-3-2-4-7-14/h8-11,14H,2-7,12-13H2,1H3
InChIKeyNBEDITKOEOYMSU-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.80
Rot. Bonds5

About N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline

N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline (PubChem CID 115215489) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline.

Molecular Properties

Compound NameN-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
PubChem CID115215489
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
SMILESCN(CCCCl)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H24ClN/c1-18(13-5-12-17)16-10-8-15(9-11-16)14-6-3-2-4-7-14/h8-11,14H,2-7,12-13H2,1H3
InChIKeyNBEDITKOEOYMSU-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline?
The IUPAC name of N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline (CID 115215489) is N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline.
What is the SMILES notation for N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline?
The canonical SMILES for N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline is CN(CCCCl)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline?
The InChIKey is NBEDITKOEOYMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-18(13-5-12-17)16-10-8-15(9-11-16)14-6-3-2-4-7-14/h8-11,14H,2-7,12-13H2,1H3.
What are the key properties of N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline?
N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline has a molecular weight of 265.83 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline is sourced from PubChem (CID 115215489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).