9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine

C17H25N5O — CID 2174924

IUPAC9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
SMILESCCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1
InChIInChI=1S/C17H25N5O/c1-2-3-12-23-14-8-6-13(7-9-14)19-16-20-15(18)21-17(22-16)10-4-5-11-17/h6-9H,2-5,10-12H2,1H3,(H4,18,19,20,21,22)
InChIKeyMCYRPUWJNNPZAT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.82
Rot. Bonds5

About 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine

9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine (PubChem CID 2174924) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine.

Molecular Properties

Compound Name9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
PubChem CID2174924
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
SMILESCCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1
InChIInChI=1S/C17H25N5O/c1-2-3-12-23-14-8-6-13(7-9-14)19-16-20-15(18)21-17(22-16)10-4-5-11-17/h6-9H,2-5,10-12H2,1H3,(H4,18,19,20,21,22)
InChIKeyMCYRPUWJNNPZAT-UHFFFAOYSA-N
XLogP2.82
TPSA84.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 3649660
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CID 805323
4-N-(4-butoxyphenyl)-3-aza-1,5-diazoniaspiro[5.5]undeca-1,4-diene-2,4-diamine
CID 2267125
4-decoxy-N-(4-decoxyphenyl)aniline
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2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094
6-N-(4-butoxyphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 19143097
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CID 22544296
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723
4-N-(4-butoxyphenyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135400
3-(4-pentoxyanilino)cyclohex-2-en-1-one
CID 3252186
6-(azepan-1-yl)-4-N-(4-butoxyphenyl)pyrimidine-4,5-diamine
CID 19137826
4-(4-propoxyanilino)benzenecarbothioamide
CID 62327993

Frequently Asked Questions

What is the IUPAC name of 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The IUPAC name of 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine (CID 2174924) is 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine.
What is the SMILES notation for 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The canonical SMILES for 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine is CCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1.
What is the InChIKey of 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The InChIKey is MCYRPUWJNNPZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-2-3-12-23-14-8-6-13(7-9-14)19-16-20-15(18)21-17(22-16)10-4-5-11-17/h6-9H,2-5,10-12H2,1H3,(H4,18,19,20,21,22).
What are the key properties of 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine has a molecular weight of 315.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine is sourced from PubChem (CID 2174924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).