2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine

C14H29N7 — CID 80795919

IUPAC2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCN(CCN(C)C)c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C14H29N7/c1-6-9-21(11-10-19(4)5)14-17-12(15)16-13(18-14)20(7-2)8-3/h6-11H2,1-5H3,(H2,15,16,17,18)
InChIKeyRXARTMKHPSAUFB-UHFFFAOYSA-N
MW295.44 g/mol
LogP1.08
Rot. Bonds9

About 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine

2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80795919) has the molecular formula C14H29N7 and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80795919
Molecular FormulaC14H29N7
Molecular Weight295.44 g/mol
Exact Mass295.25
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCN(CCN(C)C)c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C14H29N7/c1-6-9-21(11-10-19(4)5)14-17-12(15)16-13(18-14)20(7-2)8-3/h6-11H2,1-5H3,(H2,15,16,17,18)
InChIKeyRXARTMKHPSAUFB-UHFFFAOYSA-N
XLogP1.08
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80815795
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
6-chloro-2-N-ethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774645
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 62864502
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
2-N,2-N-diethyl-4-N-methyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 112667625
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80791325
2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
CID 66899786
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 80795919) is 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCN(CCN(C)C)c1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RXARTMKHPSAUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N7/c1-6-9-21(11-10-19(4)5)14-17-12(15)16-13(18-14)20(7-2)8-3/h6-11H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 295.44 g/mol, XLogP of 1.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80795919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).