9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine

C19H28ClNO2 — CID 57129976

IUPAC9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC2(CC1)OCC(C)(C)CO2
InChIInChI=1S/C19H28ClNO2/c1-17(2)13-22-19(23-14-17)11-9-18(10-12-19,21(3)4)15-5-7-16(20)8-6-15/h5-8H,9-14H2,1-4H3
InChIKeyAOHUVRAFAJJHPI-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.44
Rot. Bonds2

About 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine

9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine (PubChem CID 57129976) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound Name9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine
PubChem CID57129976
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Name9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC2(CC1)OCC(C)(C)CO2
InChIInChI=1S/C19H28ClNO2/c1-17(2)13-22-19(23-14-17)11-9-18(10-12-19,21(3)4)15-5-7-16(20)8-6-15/h5-8H,9-14H2,1-4H3
InChIKeyAOHUVRAFAJJHPI-UHFFFAOYSA-N
XLogP4.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine?
The IUPAC name of 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine (CID 57129976) is 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine.
What is the SMILES notation for 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine?
The canonical SMILES for 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine is CN(C)C1(c2ccc(Cl)cc2)CCC2(CC1)OCC(C)(C)CO2.
What is the InChIKey of 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine?
The InChIKey is AOHUVRAFAJJHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO2/c1-17(2)13-22-19(23-14-17)11-9-18(10-12-19,21(3)4)15-5-7-16(20)8-6-15/h5-8H,9-14H2,1-4H3.
What are the key properties of 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine?
9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine has a molecular weight of 337.89 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 57129976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).