carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine

C18H27NO2 — CID 123365287

IUPACcarbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)NCC2CCCCC2)cc1.O=C=O
InChIInChI=1S/C17H27N.CO2/c1-14-8-10-16(11-9-14)12-15(2)18-13-17-6-4-3-5-7-17;2-1-3/h8-11,15,17-18H,3-7,12-13H2,1-2H3;
InChIKeyYWZCCNAYOXZOPJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.51
Rot. Bonds5

About carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine

carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine (PubChem CID 123365287) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Namecarbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine
PubChem CID123365287
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namecarbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)NCC2CCCCC2)cc1.O=C=O
InChIInChI=1S/C17H27N.CO2/c1-14-8-10-16(11-9-14)12-15(2)18-13-17-6-4-3-5-7-17;2-1-3/h8-11,15,17-18H,3-7,12-13H2,1-2H3;
InChIKeyYWZCCNAYOXZOPJ-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine (CID 123365287) is carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine is Cc1ccc(CC(C)NCC2CCCCC2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine?
The InChIKey is YWZCCNAYOXZOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.CO2/c1-14-8-10-16(11-9-14)12-15(2)18-13-17-6-4-3-5-7-17;2-1-3/h8-11,15,17-18H,3-7,12-13H2,1-2H3;.
What are the key properties of carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine?
carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(cyclohexylmethyl)-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 123365287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).