N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride

C10H20ClN5 — CID 135433418

IUPACN,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride
SMILESC=CC/N=C1\NC(N(C)C)=NC(C)(C)N1.Cl
InChIInChI=1S/C10H19N5.ClH/c1-6-7-11-8-12-9(15(4)5)14-10(2,3)13-8;/h6H,1,7H2,2-5H3,(H2,11,12,13,14);1H
InChIKeyKJYDLSZKVIPFSY-UHFFFAOYSA-N
MW245.76 g/mol
LogP0.80
Rot. Bonds2

About N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride

N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride (PubChem CID 135433418) has the molecular formula C10H20ClN5 and a molecular weight of 245.76 g/mol. Its IUPAC name is N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride
PubChem CID135433418
Molecular FormulaC10H20ClN5
Molecular Weight245.76 g/mol
Exact Mass245.14
IUPAC NameN,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride
SMILESC=CC/N=C1\NC(N(C)C)=NC(C)(C)N1.Cl
InChIInChI=1S/C10H19N5.ClH/c1-6-7-11-8-12-9(15(4)5)14-10(2,3)13-8;/h6H,1,7H2,2-5H3,(H2,11,12,13,14);1H
InChIKeyKJYDLSZKVIPFSY-UHFFFAOYSA-N
XLogP0.80
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride?
The IUPAC name of N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride (CID 135433418) is N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride.
What is the SMILES notation for N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride?
The canonical SMILES for N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride is C=CC/N=C1\NC(N(C)C)=NC(C)(C)N1.Cl.
What is the InChIKey of N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride?
The InChIKey is KJYDLSZKVIPFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.ClH/c1-6-7-11-8-12-9(15(4)5)14-10(2,3)13-8;/h6H,1,7H2,2-5H3,(H2,11,12,13,14);1H.
What are the key properties of N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride?
N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride has a molecular weight of 245.76 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine;hydrochloride is sourced from PubChem (CID 135433418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).