N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine

C16H30N2O — CID 115306837

IUPACN-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine
SMILESC1CCCC(NCCN2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-4-6-15(5-3-1)17-9-10-18-13-16(14-18)7-11-19-12-8-16/h15,17H,1-14H2
InChIKeyVPYINGSDSOZLPQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds4

About N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine

N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine (PubChem CID 115306837) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine
PubChem CID115306837
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine
SMILESC1CCCC(NCCN2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-4-6-15(5-3-1)17-9-10-18-13-16(14-18)7-11-19-12-8-16/h15,17H,1-14H2
InChIKeyVPYINGSDSOZLPQ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine (CID 115306837) is N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine is C1CCCC(NCCN2CC3(CCOCC3)C2)CC1.
What is the InChIKey of N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine?
The InChIKey is VPYINGSDSOZLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-4-6-15(5-3-1)17-9-10-18-13-16(14-18)7-11-19-12-8-16/h15,17H,1-14H2.
What are the key properties of N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine?
N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 115306837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).