4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine

C13H22N4 — CID 63866849

IUPAC4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C13H22N4/c1-2-7-11-15-12(17-13(14)16-11)10-8-5-3-4-6-9-10/h10H,2-9H2,1H3,(H2,14,15,16,17)
InChIKeyNRCGYMPTDMHAEO-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.84
Rot. Bonds3

About 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine

4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine (PubChem CID 63866849) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine
PubChem CID63866849
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C13H22N4/c1-2-7-11-15-12(17-13(14)16-11)10-8-5-3-4-6-9-10/h10H,2-9H2,1H3,(H2,14,15,16,17)
InChIKeyNRCGYMPTDMHAEO-UHFFFAOYSA-N
XLogP2.84
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Undecyl-1,3,5-triazine-2,4-diamine
CID 75673
6-Nonyl-1,3,5-triazine-2,4-diamine
CID 22209
6-Heptyl-1,3,5-triazine-2,4-diamine
CID 80121
1,3,5-Triazine-2,4-diamine, 6-decyl-
CID 122442
6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
6-Dodecyl-1,3,5-triazine-2,4-diamine
CID 3778626
4-Cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55252118
4-Cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964959
4,6-Didodecyl-1,3,5-triazin-2-amine
CID 15255084
4,6-Dicyclohexyl-1,3,5-triazin-2-amine
CID 15407131
6-(Cyclohexylmethyl)-1,3,5-triazine-2,4-diamine
CID 18366366
6-(3-Methylbutyl)-1,3,5-triazine-2,4-diamine
CID 20330725

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine (CID 63866849) is 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is NRCGYMPTDMHAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-7-11-15-12(17-13(14)16-11)10-8-5-3-4-6-9-10/h10H,2-9H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine?
4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63866849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).