N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine

C22H31N — CID 154638784

IUPACN-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
SMILESCCNC(CC(C)(C)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C22H31N/c1-6-23-20(22(4,5)19-15-11-8-12-16-19)17-21(2,3)18-13-9-7-10-14-18/h7-16,20,23H,6,17H2,1-5H3
InChIKeyZWRHXDJMHJMJNI-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.31
Rot. Bonds7

About N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine

N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine (PubChem CID 154638784) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
PubChem CID154638784
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC NameN-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
SMILESCCNC(CC(C)(C)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C22H31N/c1-6-23-20(22(4,5)19-15-11-8-12-16-19)17-21(2,3)18-13-9-7-10-14-18/h7-16,20,23H,6,17H2,1-5H3
InChIKeyZWRHXDJMHJMJNI-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 104805470
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CID 69029171
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine
CID 104801951
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
CID 103921230
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
N,3-diethyl-7-methyl-3-phenyloctan-4-amine
CID 63417594
(2-methyl-2-phenylhexan-3-yl)hydrazine
CID 105216295

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine (CID 154638784) is N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine is CCNC(CC(C)(C)c1ccccc1)C(C)(C)c1ccccc1.
What is the InChIKey of N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine?
The InChIKey is ZWRHXDJMHJMJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-6-23-20(22(4,5)19-15-11-8-12-16-19)17-21(2,3)18-13-9-7-10-14-18/h7-16,20,23H,6,17H2,1-5H3.
What are the key properties of N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine?
N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine has a molecular weight of 309.50 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine is sourced from PubChem (CID 154638784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).