1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine

C15H23N — CID 66036849

IUPAC1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H23N/c1-5-11(2)9-15(16)10-14-7-12(3)6-13(4)8-14/h6-8,15H,2,5,9-10,16H2,1,3-4H3
InChIKeyKOBMNEGSLHUFKC-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.53
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine

1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine (PubChem CID 66036849) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine
PubChem CID66036849
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H23N/c1-5-11(2)9-15(16)10-14-7-12(3)6-13(4)8-14/h6-8,15H,2,5,9-10,16H2,1,3-4H3
InChIKeyKOBMNEGSLHUFKC-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine (CID 66036849) is 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine is C=C(CC)CC(N)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine?
The InChIKey is KOBMNEGSLHUFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-11(2)9-15(16)10-14-7-12(3)6-13(4)8-14/h6-8,15H,2,5,9-10,16H2,1,3-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine?
1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine is sourced from PubChem (CID 66036849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).