2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

C17H33NO — CID 102897716

IUPAC2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCC(CNCC1CCC2(CCCCC2)O1)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-14(16(2,3)4)12-18-13-15-8-11-17(19-15)9-6-5-7-10-17/h14-15,18H,5-13H2,1-4H3
InChIKeyYSYQECKTBKDKOY-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds4

About 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (PubChem CID 102897716) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
PubChem CID102897716
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCC(CNCC1CCC2(CCCCC2)O1)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-14(16(2,3)4)12-18-13-15-8-11-17(19-15)9-6-5-7-10-17/h14-15,18H,5-13H2,1-4H3
InChIKeyYSYQECKTBKDKOY-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
CID 103491800
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
2-N,2-N,2-trimethyl-1-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,2-diamine
CID 102897097
N,N,2,2-tetramethyl-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,3-diamine
CID 102896603
4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102900846
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 102896860
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102900844
N-tert-butyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897648

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (CID 102897716) is 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is CC(CNCC1CCC2(CCCCC2)O1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The InChIKey is YSYQECKTBKDKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(16(2,3)4)12-18-13-15-8-11-17(19-15)9-6-5-7-10-17/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 102897716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).