N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine

C16H27NO — CID 79903465

IUPACN-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1CC2(C1)CC(NCC(C1CC1)C1CC1)CCO2
InChIInChI=1S/C16H27NO/c1-7-16(8-1)10-14(6-9-18-16)17-11-15(12-2-3-12)13-4-5-13/h12-15,17H,1-11H2
InChIKeyYWABAIZUNOUAAA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.11
Rot. Bonds5

About N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79903465) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79903465
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1CC2(C1)CC(NCC(C1CC1)C1CC1)CCO2
InChIInChI=1S/C16H27NO/c1-7-16(8-1)10-14(6-9-18-16)17-11-15(12-2-3-12)13-4-5-13/h12-15,17H,1-11H2
InChIKeyYWABAIZUNOUAAA-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)ethanol
CID 79903192
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-(2-methoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 102698037
N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903596
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol
CID 107152735
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
4-methyl-1-(6-oxaspiro[4.5]decan-9-ylamino)pentan-2-ol
CID 107152559
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113477257
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79903465) is N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine is C1CC2(C1)CC(NCC(C1CC1)C1CC1)CCO2.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is YWABAIZUNOUAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-16(8-1)10-14(6-9-18-16)17-11-15(12-2-3-12)13-4-5-13/h12-15,17H,1-11H2.
What are the key properties of N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 249.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79903465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).