2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine

C14H23N — CID 43768749

IUPAC2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
SMILESCCC(NCc1cccc(C)c1)C(C)C
InChIInChI=1S/C14H23N/c1-5-14(11(2)3)15-10-13-8-6-7-12(4)9-13/h6-9,11,14-15H,5,10H2,1-4H3
InChIKeyOZHYESJZBKAUTG-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.52
Rot. Bonds5

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

2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine (PubChem CID 43768749) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
PubChem CID43768749
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
SMILESCCC(NCc1cccc(C)c1)C(C)C
InChIInChI=1S/C14H23N/c1-5-14(11(2)3)15-10-13-8-6-7-12(4)9-13/h6-9,11,14-15H,5,10H2,1-4H3
InChIKeyOZHYESJZBKAUTG-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 106345275
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
CID 66472030
1-ethylsulfanyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 115660780
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
CID 142218132
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
N'-hydroxy-3-[(2-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 77032298
N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine
CID 64634189

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine (CID 43768749) is 2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine is CCC(NCc1cccc(C)c1)C(C)C.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine?
The InChIKey is OZHYESJZBKAUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-14(11(2)3)15-10-13-8-6-7-12(4)9-13/h6-9,11,14-15H,5,10H2,1-4H3.
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine?
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine has a molecular weight of 205.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine is sourced from PubChem (CID 43768749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).