N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine

C14H27NO — CID 79895399

IUPACN-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCCC(C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO/c1-3-4-6-12(2)15-13-7-10-16-14(11-13)8-5-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyJESXNQGZYYZSBT-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds5

About N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine

N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895399) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895399
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCCC(C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO/c1-3-4-6-12(2)15-13-7-10-16-14(11-13)8-5-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyJESXNQGZYYZSBT-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine (CID 79895399) is N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine is CCCCC(C)NC1CCOC2(CCC2)C1.
What is the InChIKey of N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is JESXNQGZYYZSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-6-12(2)15-13-7-10-16-14(11-13)8-5-9-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 225.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).