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

C17H32N2 — CID 63159739

IUPAC2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine
SMILESNC1CCCCCC1CN1CCC2(CCCC2)CC1
InChIInChI=1S/C17H32N2/c18-16-7-3-1-2-6-15(16)14-19-12-10-17(11-13-19)8-4-5-9-17/h15-16H,1-14,18H2
InChIKeyUVPTWHNSNZKPKN-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.55
Rot. Bonds2

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

2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine (PubChem CID 63159739) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine
PubChem CID63159739
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine
SMILESNC1CCCCCC1CN1CCC2(CCCC2)CC1
InChIInChI=1S/C17H32N2/c18-16-7-3-1-2-6-15(16)14-19-12-10-17(11-13-19)8-4-5-9-17/h15-16H,1-14,18H2
InChIKeyUVPTWHNSNZKPKN-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.55
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-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine (CID 63159739) is 2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine is NC1CCCCCC1CN1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine?
The InChIKey is UVPTWHNSNZKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c18-16-7-3-1-2-6-15(16)14-19-12-10-17(11-13-19)8-4-5-9-17/h15-16H,1-14,18H2.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine?
2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.55, 2 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-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 63159739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).