5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C18H26N6 — CID 169375399

IUPAC5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCc1cccc(N2C(N)=NC(N)=NC23CCCCC3)c1NC1CC1
InChIInChI=1S/C18H26N6/c1-12-6-5-7-14(15(12)21-13-8-9-13)24-17(20)22-16(19)23-18(24)10-3-2-4-11-18/h5-7,13,21H,2-4,8-11H2,1H3,(H4,19,20,22,23)
InChIKeyCCIRFDKKPADZST-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.68
Rot. Bonds3

About 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169375399) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169375399
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCc1cccc(N2C(N)=NC(N)=NC23CCCCC3)c1NC1CC1
InChIInChI=1S/C18H26N6/c1-12-6-5-7-14(15(12)21-13-8-9-13)24-17(20)22-16(19)23-18(24)10-3-2-4-11-18/h5-7,13,21H,2-4,8-11H2,1H3,(H4,19,20,22,23)
InChIKeyCCIRFDKKPADZST-UHFFFAOYSA-N
XLogP2.68
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(cyclopropylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169377070
5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373620
N-cyclopropyl-3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methylbenzamide
CID 169374961
5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378039
5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375014
5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375035
5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375974
4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,3-dimethylphenol
CID 169375793
5-(2,4-dibromo-5-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375803
ethyl 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzoate
CID 169373608
5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373563
5-(3,4-difluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375741

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169375399) is 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is Cc1cccc(N2C(N)=NC(N)=NC23CCCCC3)c1NC1CC1.
What is the InChIKey of 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is CCIRFDKKPADZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-12-6-5-7-14(15(12)21-13-8-9-13)24-17(20)22-16(19)23-18(24)10-3-2-4-11-18/h5-7,13,21H,2-4,8-11H2,1H3,(H4,19,20,22,23).
What are the key properties of 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169375399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).