6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C19H34N6 — CID 44533866

IUPAC6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC2CCCCC2)nc(N2CCCCCCC2)n1
InChIInChI=1S/C19H34N6/c1-15(2)20-17-22-18(21-16-11-7-6-8-12-16)24-19(23-17)25-13-9-4-3-5-10-14-25/h15-16H,3-14H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyKUPUIKUQRDMESM-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.21
Rot. Bonds5

About 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 44533866) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID44533866
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NC2CCCCC2)nc(N2CCCCCCC2)n1
InChIInChI=1S/C19H34N6/c1-15(2)20-17-22-18(21-16-11-7-6-8-12-16)24-19(23-17)25-13-9-4-3-5-10-14-25/h15-16H,3-14H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyKUPUIKUQRDMESM-UHFFFAOYSA-N
XLogP4.21
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine
CID 3094336
s-Triazine, 2-amino-4-(cyclohexylamino)-6-(dimethylamino)-
CID 207596
N~2~-Cyclohexyl-N~4~-methyl-1,3,5-triazinane-2,4,6-triimine
CID 213573
N-Cyclohexyl-6-piperidin-1-yl-[1,3,5]triazine-2,4-diamine
CID 10683888
Cyclohexylmelamine
CID 134592
2-N,4-N,6-N-triheptyl-1,3,5-triazine-2,4,6-triamine
CID 44370899
N~2~,N~4~-dicyclohexyl-N~6~-propyl-1,3,5-triazine-2,4,6-triamine
CID 23762363
4-N-butyl-2-N-cyclohexyl-1,3,5-triazine-2,4,6-triamine
CID 213560
4-N-cyclohexyl-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 213562
4-N-cyclohexyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 213596
N-{3-[12-(3-Amino-propylamino)-dodecylamino]-propyl}-N'',N''-dimethyl-[1,3,5]triazine-2,4,6-triaminetetrahydrochloride
CID 10917380
N-{3-[12-(3-Amino-propylamino)-dodecylamino]-propyl}-N'',N'',N'''',N''''-tetramethyl-[1,3,5]triazine-2,4,6-triaminepentahydrochloride
CID 11762561

Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 44533866) is 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(NC2CCCCC2)nc(N2CCCCCCC2)n1.
What is the InChIKey of 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is KUPUIKUQRDMESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-15(2)20-17-22-18(21-16-11-7-6-8-12-16)24-19(23-17)25-13-9-4-3-5-10-14-25/h15-16H,3-14H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44533866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).