10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine

C17H33NO — CID 107430383

IUPAC10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine
SMILESCCCNC1CCOC2(CCCC(CC(C)C)C2)C1
InChIInChI=1S/C17H33NO/c1-4-9-18-16-7-10-19-17(13-16)8-5-6-15(12-17)11-14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyPAHIODZEJKCLIM-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds5

About 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine

10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 107430383) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine
PubChem CID107430383
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine
SMILESCCCNC1CCOC2(CCCC(CC(C)C)C2)C1
InChIInChI=1S/C17H33NO/c1-4-9-18-16-7-10-19-17(13-16)8-5-6-15(12-17)11-14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyPAHIODZEJKCLIM-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine
CID 65082535
5-(2-methylpropyl)-1-oxaspiro[2.5]octane
CID 107430385
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
2-methoxy-N-propyl-5-oxaspiro[3.5]nonan-8-amine
CID 106824190
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
N-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895357
N'-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79903260
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111

Frequently Asked Questions

What is the IUPAC name of 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine (CID 107430383) is 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine is CCCNC1CCOC2(CCCC(CC(C)C)C2)C1.
What is the InChIKey of 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is PAHIODZEJKCLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-9-18-16-7-10-19-17(13-16)8-5-6-15(12-17)11-14(2)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine?
10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 107430383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).