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

C17H34N2 — CID 80557366

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine
SMILESCCCCCC(C)(CN)N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-4-5-8-16(2,15-18)19-13-11-17(12-14-19)9-6-7-10-17/h3-15,18H2,1-2H3
InChIKeyARVCNAHOCPGZKL-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.94
Rot. Bonds6

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

2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine (PubChem CID 80557366) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine
PubChem CID80557366
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine
SMILESCCCCCC(C)(CN)N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-4-5-8-16(2,15-18)19-13-11-17(12-14-19)9-6-7-10-17/h3-15,18H2,1-2H3
InChIKeyARVCNAHOCPGZKL-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine (CID 80557366) is 2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine is CCCCCC(C)(CN)N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine?
The InChIKey is ARVCNAHOCPGZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-4-5-8-16(2,15-18)19-13-11-17(12-14-19)9-6-7-10-17/h3-15,18H2,1-2H3.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine?
2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.94, 6 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)-2-methylheptan-1-amine is sourced from PubChem (CID 80557366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).