N,N-dimethyl-3-(triazin-4-yl)propan-1-amine

C8H14N4 — CID 19385855

IUPACN,N-dimethyl-3-(triazin-4-yl)propan-1-amine
SMILESCN(C)CCCc1ccnnn1
InChIInChI=1S/C8H14N4/c1-12(2)7-3-4-8-5-6-9-11-10-8/h5-6H,3-4,7H2,1-2H3
InChIKeyMLSDOPJFVAINAQ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.37
Rot. Bonds4

About N,N-dimethyl-3-(triazin-4-yl)propan-1-amine

N,N-dimethyl-3-(triazin-4-yl)propan-1-amine (PubChem CID 19385855) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N,N-dimethyl-3-(triazin-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(triazin-4-yl)propan-1-amine
PubChem CID19385855
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN,N-dimethyl-3-(triazin-4-yl)propan-1-amine
SMILESCN(C)CCCc1ccnnn1
InChIInChI=1S/C8H14N4/c1-12(2)7-3-4-8-5-6-9-11-10-8/h5-6H,3-4,7H2,1-2H3
InChIKeyMLSDOPJFVAINAQ-UHFFFAOYSA-N
XLogP0.37
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(triazin-4-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(triazin-4-yl)propan-1-amine (CID 19385855) is N,N-dimethyl-3-(triazin-4-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(triazin-4-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(triazin-4-yl)propan-1-amine is CN(C)CCCc1ccnnn1.
What is the InChIKey of N,N-dimethyl-3-(triazin-4-yl)propan-1-amine?
The InChIKey is MLSDOPJFVAINAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12(2)7-3-4-8-5-6-9-11-10-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(triazin-4-yl)propan-1-amine?
N,N-dimethyl-3-(triazin-4-yl)propan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(triazin-4-yl)propan-1-amine is sourced from PubChem (CID 19385855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).