N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine

C16H29NO — CID 79904048

IUPACN-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(CC1CC1)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H29NO/c1-13(11-14-5-6-14)17-15-7-10-18-16(12-15)8-3-2-4-9-16/h13-15,17H,2-12H2,1H3
InChIKeyPKGAEUVOALBRSS-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.65
Rot. Bonds4

About N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine

N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79904048) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79904048
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(CC1CC1)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H29NO/c1-13(11-14-5-6-14)17-15-7-10-18-16(12-15)8-3-2-4-9-16/h13-15,17H,2-12H2,1H3
InChIKeyPKGAEUVOALBRSS-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895087
N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
CID 115897078
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine (CID 79904048) is N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine is CC(CC1CC1)NC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is PKGAEUVOALBRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(11-14-5-6-14)17-15-7-10-18-16(12-15)8-3-2-4-9-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine?
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 251.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79904048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).