2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine

C16H30N2 — CID 63160830

IUPAC2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H30N2/c17-14-6-2-1-3-7-15(14)18-12-10-16(11-13-18)8-4-5-9-16/h14-15H,1-13,17H2
InChIKeyPFMGHSXJCOKZLB-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.30
Rot. Bonds1

About 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine

2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine (PubChem CID 63160830) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine
PubChem CID63160830
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H30N2/c17-14-6-2-1-3-7-15(14)18-12-10-16(11-13-18)8-4-5-9-16/h14-15H,1-13,17H2
InChIKeyPFMGHSXJCOKZLB-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine (CID 63160830) is 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine is NC1CCCCCC1N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine?
The InChIKey is PFMGHSXJCOKZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c17-14-6-2-1-3-7-15(14)18-12-10-16(11-13-18)8-4-5-9-16/h14-15H,1-13,17H2.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine?
2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine is sourced from PubChem (CID 63160830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).