2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine

C24H42N2 — CID 3030835

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IUPAC2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine
SMILESCCN(CC)CC(CN(CC)CC)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H42N2/c1-5-25(6-2)19-23(20-26(7-3)8-4)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9,11-12,15-16,22-24H,5-8,10,13-14,17-20H2,1-4H3
InChIKeyQDMORDTWFMWOFA-UHFFFAOYSA-N
MW358.61 g/mol
LogP5.65
Rot. Bonds11

About 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine

2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine (PubChem CID 3030835) has the molecular formula C24H42N2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine
PubChem CID3030835
Molecular FormulaC24H42N2
Molecular Weight358.61 g/mol
Exact Mass358.33
IUPAC Name2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine
SMILESCCN(CC)CC(CN(CC)CC)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H42N2/c1-5-25(6-2)19-23(20-26(7-3)8-4)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9,11-12,15-16,22-24H,5-8,10,13-14,17-20H2,1-4H3
InChIKeyQDMORDTWFMWOFA-UHFFFAOYSA-N
XLogP5.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine?
The IUPAC name of 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine (CID 3030835) is 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine.
What is the SMILES notation for 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine?
The canonical SMILES for 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine is CCN(CC)CC(CN(CC)CC)C(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine?
The InChIKey is QDMORDTWFMWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2/c1-5-25(6-2)19-23(20-26(7-3)8-4)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9,11-12,15-16,22-24H,5-8,10,13-14,17-20H2,1-4H3.
What are the key properties of 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine?
2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine has a molecular weight of 358.61 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine is sourced from PubChem (CID 3030835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).