N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine

C13H26N2 — CID 165476963

IUPACN-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCC1CNCC12CCC2
InChIInChI=1S/C13H26N2/c1-3-12(4-2)15-9-11-8-14-10-13(11)6-5-7-13/h11-12,14-15H,3-10H2,1-2H3
InChIKeyHLYAQZUCSQUKHR-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.15
Rot. Bonds5

About N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine

N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine (PubChem CID 165476963) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine
PubChem CID165476963
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCC1CNCC12CCC2
InChIInChI=1S/C13H26N2/c1-3-12(4-2)15-9-11-8-14-10-13(11)6-5-7-13/h11-12,14-15H,3-10H2,1-2H3
InChIKeyHLYAQZUCSQUKHR-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine?
The IUPAC name of N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine (CID 165476963) is N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine.
What is the SMILES notation for N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine?
The canonical SMILES for N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine is CCC(CC)NCC1CNCC12CCC2.
What is the InChIKey of N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine?
The InChIKey is HLYAQZUCSQUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-12(4-2)15-9-11-8-14-10-13(11)6-5-7-13/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine?
N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[3.4]octan-8-ylmethyl)pentan-3-amine is sourced from PubChem (CID 165476963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).