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

C17H27N — CID 66036851

IUPAC1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(Cc1cc(C)cc(C)c1)NCC
InChIInChI=1S/C17H27N/c1-6-13(3)11-17(18-7-2)12-16-9-14(4)8-15(5)10-16/h8-10,17-18H,3,6-7,11-12H2,1-2,4-5H3
InChIKeyMDXUUJSBPKOHHG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.18
Rot. Bonds7

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

1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine (PubChem CID 66036851) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine
PubChem CID66036851
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(Cc1cc(C)cc(C)c1)NCC
InChIInChI=1S/C17H27N/c1-6-13(3)11-17(18-7-2)12-16-9-14(4)8-15(5)10-16/h8-10,17-18H,3,6-7,11-12H2,1-2,4-5H3
InChIKeyMDXUUJSBPKOHHG-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
CID 66044344
1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine
CID 66036849
1-(3,5-difluorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66039224
1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132239
1-(3,5-dimethylphenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128565
N-ethyl-4-methylidene-1-pyridin-2-ylhexan-2-amine
CID 66044585
N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066398
1-(3,5-dimethylphenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 61028897
1-(3,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62605123
N-ethyl-5-methylidene-1-phenylheptan-3-amine
CID 66038507
1-butan-2-ylsulfanyl-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 65136261
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine (CID 66036851) is 1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine is C=C(CC)CC(Cc1cc(C)cc(C)c1)NCC.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine?
The InChIKey is MDXUUJSBPKOHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-6-13(3)11-17(18-7-2)12-16-9-14(4)8-15(5)10-16/h8-10,17-18H,3,6-7,11-12H2,1-2,4-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine?
1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine is sourced from PubChem (CID 66036851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).