N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine

C17H23NO2 — CID 66960823

IUPACN-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine
SMILESC1=C(N(Cc2ccccc2)CC2CCCCC2)OCO1
InChIInChI=1S/C17H23NO2/c1-3-7-15(8-4-1)11-18(17-13-19-14-20-17)12-16-9-5-2-6-10-16/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2
InChIKeyUZYUKOZMCKAFMK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.87
Rot. Bonds5

About N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine

N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine (PubChem CID 66960823) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine.

Molecular Properties

Compound NameN-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine
PubChem CID66960823
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine
SMILESC1=C(N(Cc2ccccc2)CC2CCCCC2)OCO1
InChIInChI=1S/C17H23NO2/c1-3-7-15(8-4-1)11-18(17-13-19-14-20-17)12-16-9-5-2-6-10-16/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2
InChIKeyUZYUKOZMCKAFMK-UHFFFAOYSA-N
XLogP3.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine?
The IUPAC name of N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine (CID 66960823) is N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine.
What is the SMILES notation for N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine?
The canonical SMILES for N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine is C1=C(N(Cc2ccccc2)CC2CCCCC2)OCO1.
What is the InChIKey of N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine?
The InChIKey is UZYUKOZMCKAFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-7-15(8-4-1)11-18(17-13-19-14-20-17)12-16-9-5-2-6-10-16/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2.
What are the key properties of N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine?
N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclohexylmethyl)-1,3-dioxol-4-amine is sourced from PubChem (CID 66960823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).