2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine

C19H35NO — CID 102900542

IUPAC2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C19H35NO/c1-15(2)20-14-17(16-7-3-4-8-16)13-18-9-12-19(21-18)10-5-6-11-19/h15-18,20H,3-14H2,1-2H3
InChIKeyVYMABKQWLHDJGE-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.67
Rot. Bonds6

About 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine

2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 102900542) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID102900542
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C19H35NO/c1-15(2)20-14-17(16-7-3-4-8-16)13-18-9-12-19(21-18)10-5-6-11-19/h15-18,20H,3-14H2,1-2H3
InChIKeyVYMABKQWLHDJGE-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-3-(1-oxaspiro[4.5]decan-2-yl)propan-1-ol
CID 102902071
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102897316
N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine
CID 116523829
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
CID 102901359
N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine
CID 102900242
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
3-methyl-N-(2-methylpropyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900270
2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane
CID 102899958
N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine
CID 102900503
N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102900256

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine (CID 102900542) is 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(CC1CCC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is VYMABKQWLHDJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-15(2)20-14-17(16-7-3-4-8-16)13-18-9-12-19(21-18)10-5-6-11-19/h15-18,20H,3-14H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine?
2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 293.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102900542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).