2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine

C15H27N7 — CID 13258816

IUPAC2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCC=C)nc(N(CC)CCNCC)n1
InChIInChI=1S/C15H27N7/c1-5-9-17-13-19-14(18-10-6-2)21-15(20-13)22(8-4)12-11-16-7-3/h5-6,16H,1-2,7-12H2,3-4H3,(H2,17,18,19,20,21)
InChIKeyPDQIFYJYPGGMAB-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.50
Rot. Bonds12

About 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine

2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 13258816) has the molecular formula C15H27N7 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID13258816
Molecular FormulaC15H27N7
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC Name2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCC=C)nc(N(CC)CCNCC)n1
InChIInChI=1S/C15H27N7/c1-5-9-17-13-19-14(18-10-6-2)21-15(20-13)22(8-4)12-11-16-7-3/h5-6,16H,1-2,7-12H2,3-4H3,(H2,17,18,19,20,21)
InChIKeyPDQIFYJYPGGMAB-UHFFFAOYSA-N
XLogP1.50
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N2,N2-Di-2-propen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 66682
N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
CID 621427
s-Triazine, 4-amino-2-diallylamino-6-(N,N-dimethylformamidino)-
CID 9578379
Cambridge id 5304492
CID 2056339
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 44725283
2,4,6-Triallylamino-sym-triazine
CID 35080
6-Chloro-4N,4N-diethyl-2N,2N-diallyl-1,3,5-triazine-2,4-diamine
CID 180009
6-Chloro-4N,4N-dimethyl-2N,2N-diallyl-1,3,5-triazine-2,4-diamine
CID 180010
6-Chloro-4-N-ethyl-2-N,2-N-di(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 183260
4-N,4-N,6-N,6-N-tetraethyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
CID 298167

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine (CID 13258816) is 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine is C=CCNc1nc(NCC=C)nc(N(CC)CCNCC)n1.
What is the InChIKey of 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PDQIFYJYPGGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7/c1-5-9-17-13-19-14(18-10-6-2)21-15(20-13)22(8-4)12-11-16-7-3/h5-6,16H,1-2,7-12H2,3-4H3,(H2,17,18,19,20,21).
What are the key properties of 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 305.43 g/mol, XLogP of 1.50, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 13258816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).