N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine

C18H27NO2 — CID 60943738

IUPACN-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1ccccc1CC(C)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C18H27NO2/c1-14-5-3-4-6-16(14)13-15(2)19-17-7-9-18(10-8-17)20-11-12-21-18/h3-6,15,17,19H,7-13H2,1-2H3
InChIKeyQNVPDIDTDZTZBN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.20
Rot. Bonds4

About N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 60943738) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID60943738
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1ccccc1CC(C)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C18H27NO2/c1-14-5-3-4-6-16(14)13-15(2)19-17-7-9-18(10-8-17)20-11-12-21-18/h3-6,15,17,19H,7-13H2,1-2H3
InChIKeyQNVPDIDTDZTZBN-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 60943738) is N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine is Cc1ccccc1CC(C)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QNVPDIDTDZTZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-5-3-4-6-16(14)13-15(2)19-17-7-9-18(10-8-17)20-11-12-21-18/h3-6,15,17,19H,7-13H2,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 289.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 60943738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).