10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride

C15H22ClN5O — CID 56658456

IUPAC10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride
SMILESCOc1ccc(CN2C(N)=NC(N)=NC23CCCC3)cc1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-21-12-6-4-11(5-7-12)10-20-14(17)18-13(16)19-15(20)8-2-3-9-15;/h4-7H,2-3,8-10H2,1H3,(H4,16,17,18,19);1H
InChIKeyUVGJRDKKEPNFKB-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.83
Rot. Bonds3

About 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride

10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride (PubChem CID 56658456) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride.

Molecular Properties

Compound Name10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride
PubChem CID56658456
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride
SMILESCOc1ccc(CN2C(N)=NC(N)=NC23CCCC3)cc1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-21-12-6-4-11(5-7-12)10-20-14(17)18-13(16)19-15(20)8-2-3-9-15;/h4-7H,2-3,8-10H2,1H3,(H4,16,17,18,19);1H
InChIKeyUVGJRDKKEPNFKB-UHFFFAOYSA-N
XLogP1.83
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride?
The IUPAC name of 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride (CID 56658456) is 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride.
What is the SMILES notation for 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride?
The canonical SMILES for 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride is COc1ccc(CN2C(N)=NC(N)=NC23CCCC3)cc1.Cl.
What is the InChIKey of 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride?
The InChIKey is UVGJRDKKEPNFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.ClH/c1-21-12-6-4-11(5-7-12)10-20-14(17)18-13(16)19-15(20)8-2-3-9-15;/h4-7H,2-3,8-10H2,1H3,(H4,16,17,18,19);1H.
What are the key properties of 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride?
10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-methoxyphenyl)methyl]-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride is sourced from PubChem (CID 56658456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).