N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine

C16H29NO2 — CID 102795154

IUPACN-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CCCC(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H29NO2/c1-13-3-2-4-14(6-5-13)17-15-7-9-16(10-8-15)18-11-12-19-16/h13-15,17H,2-12H2,1H3
InChIKeyQIEJVQJZCKEBBG-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds2

About N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 102795154) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID102795154
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CCCC(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H29NO2/c1-13-3-2-4-14(6-5-13)17-15-7-9-16(10-8-15)18-11-12-19-16/h13-15,17H,2-12H2,1H3
InChIKeyQIEJVQJZCKEBBG-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 102795154) is N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine is CC1CCCC(NC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QIEJVQJZCKEBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-3-2-4-14(6-5-13)17-15-7-9-16(10-8-15)18-11-12-19-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 267.41 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 102795154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).