N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C13H25N7 — CID 80899003

IUPACN-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)CNc1nc(NN)nc(N2CCCCC2)n1
InChIInChI=1S/C13H25N7/c1-13(2,3)9-15-10-16-11(19-14)18-12(17-10)20-7-5-4-6-8-20/h4-9,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyMZAUGSSVMKPDEC-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.61
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80899003) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80899003
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC NameN-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)CNc1nc(NN)nc(N2CCCCC2)n1
InChIInChI=1S/C13H25N7/c1-13(2,3)9-15-10-16-11(19-14)18-12(17-10)20-7-5-4-6-8-20/h4-9,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyMZAUGSSVMKPDEC-UHFFFAOYSA-N
XLogP1.61
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
[4-(3,3-dimethylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923939
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80942778
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915279
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327
4-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80929061
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83206301
N-(2,2-dimethylbutyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 103466763
1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80912177
2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855156

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80899003) is N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is CC(C)(C)CNc1nc(NN)nc(N2CCCCC2)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is MZAUGSSVMKPDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7/c1-13(2,3)9-15-10-16-11(19-14)18-12(17-10)20-7-5-4-6-8-20/h4-9,14H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80899003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).