N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine

C15H29NO — CID 79895400

IUPACN-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine
SMILESCCCCC(C)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H29NO/c1-3-4-7-13(2)16-14-8-11-17-15(12-14)9-5-6-10-15/h13-14,16H,3-12H2,1-2H3
InChIKeyALYVDKAEMYPZSB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds5

About N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine

N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79895400) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine
PubChem CID79895400
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine
SMILESCCCCC(C)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H29NO/c1-3-4-7-13(2)16-14-8-11-17-15(12-14)9-5-6-10-15/h13-14,16H,3-12H2,1-2H3
InChIKeyALYVDKAEMYPZSB-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
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-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine (CID 79895400) is N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine is CCCCC(C)NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is ALYVDKAEMYPZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-7-13(2)16-14-8-11-17-15(12-14)9-5-6-10-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine?
N-hexan-2-yl-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 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-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).