N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane

C16H32ClN5O — CID 145295906

IUPACN'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane
SMILESCC.CCCCCCCCCOc1nc(Cl)nc(NCCN)n1
InChIInChI=1S/C14H26ClN5O.C2H6/c1-2-3-4-5-6-7-8-11-21-14-19-12(15)18-13(20-14)17-10-9-16;1-2/h2-11,16H2,1H3,(H,17,18,19,20);1-2H3
InChIKeyYOOLMQDAGOUFRM-UHFFFAOYSA-N
MW345.92 g/mol
LogP4.05
Rot. Bonds12

About N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane

N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane (PubChem CID 145295906) has the molecular formula C16H32ClN5O and a molecular weight of 345.92 g/mol. Its IUPAC name is N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane
PubChem CID145295906
Molecular FormulaC16H32ClN5O
Molecular Weight345.92 g/mol
Exact Mass345.23
IUPAC NameN'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane
SMILESCC.CCCCCCCCCOc1nc(Cl)nc(NCCN)n1
InChIInChI=1S/C14H26ClN5O.C2H6/c1-2-3-4-5-6-7-8-11-21-14-19-12(15)18-13(20-14)17-10-9-16;1-2/h2-11,16H2,1H3,(H,17,18,19,20);1-2H3
InChIKeyYOOLMQDAGOUFRM-UHFFFAOYSA-N
XLogP4.05
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N,6-N-tris(3-octadecoxypropyl)-1,3,5-triazine-2,4,6-triamine
CID 58771258
2-N,4-N,6-N-tris(3-decoxypropyl)-1,3,5-triazine-2,4,6-triamine
CID 58771262
2-N,4-N,6-N-tris(3-tetradecoxypropyl)-1,3,5-triazine-2,4,6-triamine
CID 58771269
2-N,4-N,6-N-tris(3-hexadecoxypropyl)-1,3,5-triazine-2,4,6-triamine
CID 58771272
2-N,4-N-bis[2-(dibutylamino)ethyl]-6-N-(3-dodecoxypropyl)-1,3,5-triazine-2,4,6-triamine
CID 58841547
N~2~,N~4~,N~6~-Tris[3-(dodecyloxy)propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841559
tert-butyl N-[2-[(4-chloro-6-decoxy-1,3,5-triazin-2-yl)amino]ethyl]carbamate
CID 118920962
N'-(4-chloro-6-decoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 118921901
N-butyl-4-chloro-6-decoxy-N-methyl-1,3,5-triazin-2-amine
CID 122498480
4-chloro-6-octoxy-N-octyl-1,3,5-triazin-2-amine
CID 137497515
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine
CID 151651580

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane?
The IUPAC name of N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane (CID 145295906) is N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane.
What is the SMILES notation for N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane?
The canonical SMILES for N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane is CC.CCCCCCCCCOc1nc(Cl)nc(NCCN)n1.
What is the InChIKey of N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane?
The InChIKey is YOOLMQDAGOUFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5O.C2H6/c1-2-3-4-5-6-7-8-11-21-14-19-12(15)18-13(20-14)17-10-9-16;1-2/h2-11,16H2,1H3,(H,17,18,19,20);1-2H3.
What are the key properties of N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane?
N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane has a molecular weight of 345.92 g/mol, XLogP of 4.05, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-6-nonoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine;ethane is sourced from PubChem (CID 145295906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).