1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine

C18H27NO2 — CID 90672815

IUPAC1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)C(c1ccccc1)C1COC(C2CCCC2)OC1
InChIInChI=1S/C18H27NO2/c1-19(2)17(14-8-4-3-5-9-14)16-12-20-18(21-13-16)15-10-6-7-11-15/h3-5,8-9,15-18H,6-7,10-13H2,1-2H3
InChIKeyBZFNTQXVOSPGGX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine

1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine (PubChem CID 90672815) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
PubChem CID90672815
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)C(c1ccccc1)C1COC(C2CCCC2)OC1
InChIInChI=1S/C18H27NO2/c1-19(2)17(14-8-4-3-5-9-14)16-12-20-18(21-13-16)15-10-6-7-11-15/h3-5,8-9,15-18H,6-7,10-13H2,1-2H3
InChIKeyBZFNTQXVOSPGGX-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine (CID 90672815) is 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine is CN(C)C(c1ccccc1)C1COC(C2CCCC2)OC1.
What is the InChIKey of 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is BZFNTQXVOSPGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-19(2)17(14-8-4-3-5-9-14)16-12-20-18(21-13-16)15-10-6-7-11-15/h3-5,8-9,15-18H,6-7,10-13H2,1-2H3.
What are the key properties of 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine?
1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 90672815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).