3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine

C16H27N — CID 65039204

IUPAC3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine
SMILESCCc1ccccc1CNC(CC)(CC)CC
InChIInChI=1S/C16H27N/c1-5-14-11-9-10-12-15(14)13-17-16(6-2,7-3)8-4/h9-12,17H,5-8,13H2,1-4H3
InChIKeyPPFHEMBRNXQADM-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.31
Rot. Bonds7

About 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine

3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine (PubChem CID 65039204) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine
PubChem CID65039204
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine
SMILESCCc1ccccc1CNC(CC)(CC)CC
InChIInChI=1S/C16H27N/c1-5-14-11-9-10-12-15(14)13-17-16(6-2,7-3)8-4/h9-12,17H,5-8,13H2,1-4H3
InChIKeyPPFHEMBRNXQADM-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-ethylphenyl)methylamino]-2-methylpropan-1-ol
CID 62391565
methyl 2-[2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]phenyl]acetate
CID 107865394
2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77055815
1,2-diethylbenzene;hydrobromide
CID 174973685
3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine
CID 65030262
methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
CID 62391585
N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine
CID 65039976
2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
CID 107865413
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
4-[(3-ethylpentan-3-ylamino)methyl]benzene-1,3-diol
CID 65039272
N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 113405413
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine (CID 65039204) is 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine is CCc1ccccc1CNC(CC)(CC)CC.
What is the InChIKey of 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine?
The InChIKey is PPFHEMBRNXQADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-14-11-9-10-12-15(14)13-17-16(6-2,7-3)8-4/h9-12,17H,5-8,13H2,1-4H3.
What are the key properties of 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine?
3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine is sourced from PubChem (CID 65039204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).