2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine

C19H37NO — CID 102901326

IUPAC2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCCC1CCC2(CCCCC2)O1)C(C)C
InChIInChI=1S/C19H37NO/c1-4-15-20-18(16(2)3)10-8-9-17-11-14-19(21-17)12-6-5-7-13-19/h16-18,20H,4-15H2,1-3H3
InChIKeyUGBFOKONSZVDPI-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.06
Rot. Bonds8

About 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine

2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine (PubChem CID 102901326) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
PubChem CID102901326
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCCC1CCC2(CCCCC2)O1)C(C)C
InChIInChI=1S/C19H37NO/c1-4-15-20-18(16(2)3)10-8-9-17-11-14-19(21-17)12-6-5-7-13-19/h16-18,20H,4-15H2,1-3H3
InChIKeyUGBFOKONSZVDPI-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine
CID 102899086
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine
CID 102901309
1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine
CID 116522578
4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine
CID 102899071
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106797949
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102900844
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
CID 102901280
7-cyclopentyl-2-methyl-N-propylheptan-3-amine
CID 114192944

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine?
The IUPAC name of 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine (CID 102901326) is 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine?
The canonical SMILES for 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine is CCCNC(CCCC1CCC2(CCCCC2)O1)C(C)C.
What is the InChIKey of 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine?
The InChIKey is UGBFOKONSZVDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-15-20-18(16(2)3)10-8-9-17-11-14-19(21-17)12-6-5-7-13-19/h16-18,20H,4-15H2,1-3H3.
What are the key properties of 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine?
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine has a molecular weight of 295.51 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 102901326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).