N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine

C16H27N — CID 65039976

IUPACN-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1cc(C)ccc1C
InChIInChI=1S/C16H27N/c1-6-16(7-2,8-3)17-12-15-11-13(4)9-10-14(15)5/h9-11,17H,6-8,12H2,1-5H3
InChIKeyPISNEKVRGPOBLN-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.36
Rot. Bonds6

About N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine

N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine (PubChem CID 65039976) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine
PubChem CID65039976
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1cc(C)ccc1C
InChIInChI=1S/C16H27N/c1-6-16(7-2,8-3)17-12-15-11-13(4)9-10-14(15)5/h9-11,17H,6-8,12H2,1-5H3
InChIKeyPISNEKVRGPOBLN-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine
CID 65039204
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 107845976
N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765888
1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine
CID 115260731
4-[(3-ethylpentan-3-ylamino)methyl]benzene-1,3-diol
CID 65039272
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine (CID 65039976) is N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine is CCC(CC)(CC)NCc1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine?
The InChIKey is PISNEKVRGPOBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-16(7-2,8-3)17-12-15-11-13(4)9-10-14(15)5/h9-11,17H,6-8,12H2,1-5H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine?
N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine is sourced from PubChem (CID 65039976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).