1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine

C21H45N3 — CID 19802226

IUPAC1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine
SMILESCCCCC(CC)CN1CC(C)CN(CC(CC)CCCC)C1N
InChIInChI=1S/C21H45N3/c1-6-10-12-19(8-3)16-23-14-18(5)15-24(21(23)22)17-20(9-4)13-11-7-2/h18-21H,6-17,22H2,1-5H3
InChIKeyKDLNSPFOKWMQQM-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.92
Rot. Bonds12

About 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine

1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine (PubChem CID 19802226) has the molecular formula C21H45N3 and a molecular weight of 339.61 g/mol. Its IUPAC name is 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine.

Molecular Properties

Compound Name1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine
PubChem CID19802226
Molecular FormulaC21H45N3
Molecular Weight339.61 g/mol
Exact Mass339.36
IUPAC Name1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine
SMILESCCCCC(CC)CN1CC(C)CN(CC(CC)CCCC)C1N
InChIInChI=1S/C21H45N3/c1-6-10-12-19(8-3)16-23-14-18(5)15-24(21(23)22)17-20(9-4)13-11-7-2/h18-21H,6-17,22H2,1-5H3
InChIKeyKDLNSPFOKWMQQM-UHFFFAOYSA-N
XLogP4.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine?
The IUPAC name of 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine (CID 19802226) is 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine.
What is the SMILES notation for 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine?
The canonical SMILES for 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine is CCCCC(CC)CN1CC(C)CN(CC(CC)CCCC)C1N.
What is the InChIKey of 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine?
The InChIKey is KDLNSPFOKWMQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3/c1-6-10-12-19(8-3)16-23-14-18(5)15-24(21(23)22)17-20(9-4)13-11-7-2/h18-21H,6-17,22H2,1-5H3.
What are the key properties of 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine?
1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine has a molecular weight of 339.61 g/mol, XLogP of 4.92, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine is sourced from PubChem (CID 19802226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).