(2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine

C14H27NO — CID 22079428

IUPAC(2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine
SMILESCC(C)(C)C1OC2(CCCCC2)CC1CN
InChIInChI=1S/C14H27NO/c1-13(2,3)12-11(10-15)9-14(16-12)7-5-4-6-8-14/h11-12H,4-10,15H2,1-3H3
InChIKeyHAVBPFOVBBDUCT-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.10
Rot. Bonds1

About (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine

(2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine (PubChem CID 22079428) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine
PubChem CID22079428
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine
SMILESCC(C)(C)C1OC2(CCCCC2)CC1CN
InChIInChI=1S/C14H27NO/c1-13(2,3)12-11(10-15)9-14(16-12)7-5-4-6-8-14/h11-12H,4-10,15H2,1-3H3
InChIKeyHAVBPFOVBBDUCT-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
The IUPAC name of (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine (CID 22079428) is (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
The canonical SMILES for (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine is CC(C)(C)C1OC2(CCCCC2)CC1CN.
What is the InChIKey of (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
The InChIKey is HAVBPFOVBBDUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)12-11(10-15)9-14(16-12)7-5-4-6-8-14/h11-12H,4-10,15H2,1-3H3.
What are the key properties of (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
(2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine has a molecular weight of 225.38 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine is sourced from PubChem (CID 22079428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).