1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine

C17H31NO — CID 102897479

IUPAC1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
SMILESCC1(C)C(CNCC2CCC3(CCCC3)O2)C1(C)C
InChIInChI=1S/C17H31NO/c1-15(2)14(16(15,3)4)12-18-11-13-7-10-17(19-13)8-5-6-9-17/h13-14,18H,5-12H2,1-4H3
InChIKeyQGRCMXXVHCFKIN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds4

About 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine

1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine (PubChem CID 102897479) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
PubChem CID102897479
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
SMILESCC1(C)C(CNCC2CCC3(CCCC3)O2)C1(C)C
InChIInChI=1S/C17H31NO/c1-15(2)14(16(15,3)4)12-18-11-13-7-10-17(19-13)8-5-6-9-17/h13-14,18H,5-12H2,1-4H3
InChIKeyQGRCMXXVHCFKIN-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine with MolForge

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Related Compounds

N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 102897450
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
1-(1-methylpyrrolidin-3-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine
CID 102896883
3-methylsulfanyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897314
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897828

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine (CID 102897479) is 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine is CC1(C)C(CNCC2CCC3(CCCC3)O2)C1(C)C.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
The InChIKey is QGRCMXXVHCFKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2)14(16(15,3)4)12-18-11-13-7-10-17(19-13)8-5-6-9-17/h13-14,18H,5-12H2,1-4H3.
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 102897479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).