N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine

C12H21NO2 — CID 79897682

IUPACN-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESC1CC2(CCO1)CC(NC1CC1)CCO2
InChIInChI=1S/C12H21NO2/c1-2-10(1)13-11-3-6-15-12(9-11)4-7-14-8-5-12/h10-11,13H,1-9H2
InChIKeyWCERRONSYFMYMS-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.47
Rot. Bonds2

About N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine

N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79897682) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79897682
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESC1CC2(CCO1)CC(NC1CC1)CCO2
InChIInChI=1S/C12H21NO2/c1-2-10(1)13-11-3-6-15-12(9-11)4-7-14-8-5-12/h10-11,13H,1-9H2
InChIKeyWCERRONSYFMYMS-UHFFFAOYSA-N
XLogP1.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894869
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-(2-methoxycyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895178
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895145
N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895018
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 115894817

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79897682) is N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine is C1CC2(CCO1)CC(NC1CC1)CCO2.
What is the InChIKey of N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is WCERRONSYFMYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-10(1)13-11-3-6-15-12(9-11)4-7-14-8-5-12/h10-11,13H,1-9H2.
What are the key properties of N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine?
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 211.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79897682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).