N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine

C18H35NO — CID 102905388

IUPACN-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(C)C(CNC1CCOC2(CCCCC2)C1)C(C)C
InChIInChI=1S/C18H35NO/c1-14(2)17(15(3)4)13-19-16-8-11-20-18(12-16)9-6-5-7-10-18/h14-17,19H,5-13H2,1-4H3
InChIKeyLDMVYOHMOHDPHL-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds5

About N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine

N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 102905388) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID102905388
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCC(C)C(CNC1CCOC2(CCCCC2)C1)C(C)C
InChIInChI=1S/C18H35NO/c1-14(2)17(15(3)4)13-19-16-8-11-20-18(12-16)9-6-5-7-10-18/h14-17,19H,5-13H2,1-4H3
InChIKeyLDMVYOHMOHDPHL-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113477257
N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903596
4-methyl-1-(6-oxaspiro[4.5]decan-9-ylamino)pentan-2-ol
CID 107152559
N-(2-methoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 102698037
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol
CID 107152735
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426
N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903465
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine (CID 102905388) is N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine is CC(C)C(CNC1CCOC2(CCCCC2)C1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is LDMVYOHMOHDPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-14(2)17(15(3)4)13-19-16-8-11-20-18(12-16)9-6-5-7-10-18/h14-17,19H,5-13H2,1-4H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 102905388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).