2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride

C8H17Cl2N3 — CID 127264071

IUPAC2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride
SMILESCl.Cl.NC1=NCCC12CCNCC2
InChIInChI=1S/C8H15N3.2ClH/c9-7-8(3-6-11-7)1-4-10-5-2-8;;/h10H,1-6H2,(H2,9,11);2*1H
InChIKeyWXBKDCSUNSHRSQ-UHFFFAOYSA-N
MW226.15 g/mol
LogP0.96
Rot. Bonds

About 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride

2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride (PubChem CID 127264071) has the molecular formula C8H17Cl2N3 and a molecular weight of 226.15 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride
PubChem CID127264071
Molecular FormulaC8H17Cl2N3
Molecular Weight226.15 g/mol
Exact Mass225.08
IUPAC Name2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride
SMILESCl.Cl.NC1=NCCC12CCNCC2
InChIInChI=1S/C8H15N3.2ClH/c9-7-8(3-6-11-7)1-4-10-5-2-8;;/h10H,1-6H2,(H2,9,11);2*1H
InChIKeyWXBKDCSUNSHRSQ-UHFFFAOYSA-N
XLogP0.96
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-Diazaspiro[4.5]dec-1-en-1-amine
CID 118238267
2,8-Diazaspiro[4.5]dec-1-en-1-amine;hydrochloride
CID 135185643
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 107163562
4-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperidine
CID 133627788

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride?
The IUPAC name of 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride (CID 127264071) is 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride.
What is the SMILES notation for 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride?
The canonical SMILES for 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride is Cl.Cl.NC1=NCCC12CCNCC2.
What is the InChIKey of 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride?
The InChIKey is WXBKDCSUNSHRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.2ClH/c9-7-8(3-6-11-7)1-4-10-5-2-8;;/h10H,1-6H2,(H2,9,11);2*1H.
What are the key properties of 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride?
2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride has a molecular weight of 226.15 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]dec-1-en-1-amine;dihydrochloride is sourced from PubChem (CID 127264071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).