4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine

C15H28N6O — CID 123252471

IUPAC4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCC)nc(N(C)OCC2CC2)n1
InChIInChI=1S/C15H28N6O/c1-4-6-10-17-14-18-13(16-9-5-2)19-15(20-14)21(3)22-11-12-7-8-12/h12H,4-11H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyZJEPISNDBHWNMO-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.68
Rot. Bonds11

About 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine

4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 123252471) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID123252471
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCC)nc(N(C)OCC2CC2)n1
InChIInChI=1S/C15H28N6O/c1-4-6-10-17-14-18-13(16-9-5-2)19-15(20-14)21(3)22-11-12-7-8-12/h12H,4-11H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyZJEPISNDBHWNMO-UHFFFAOYSA-N
XLogP2.68
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 123252471) is 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCCNc1nc(NCCC)nc(N(C)OCC2CC2)n1.
What is the InChIKey of 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZJEPISNDBHWNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-4-6-10-17-14-18-13(16-9-5-2)19-15(20-14)21(3)22-11-12-7-8-12/h12H,4-11H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 308.43 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(cyclopropylmethoxy)-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 123252471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).