2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine

C14H28N2O — CID 130315684

IUPAC2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCC1CCC2(CCNCC2)O1
InChIInChI=1S/C14H28N2O/c1-4-13(2,3)16-11-12-5-6-14(17-12)7-9-15-10-8-14/h12,15-16H,4-11H2,1-3H3
InChIKeyJZHKBKINFJEDBK-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine

2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine (PubChem CID 130315684) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine
PubChem CID130315684
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCC1CCC2(CCNCC2)O1
InChIInChI=1S/C14H28N2O/c1-4-13(2,3)16-11-12-5-6-14(17-12)7-9-15-10-8-14/h12,15-16H,4-11H2,1-3H3
InChIKeyJZHKBKINFJEDBK-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine (CID 130315684) is 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine is CCC(C)(C)NCC1CCC2(CCNCC2)O1.
What is the InChIKey of 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The InChIKey is JZHKBKINFJEDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-13(2,3)16-11-12-5-6-14(17-12)7-9-15-10-8-14/h12,15-16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine has a molecular weight of 240.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 130315684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).