1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine

C17H27N — CID 105039435

IUPAC1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1cc(C)ccc1C
InChIInChI=1S/C17H27N/c1-6-11-18-17(10-7-13(2)3)16-12-14(4)8-9-15(16)5/h8-9,12,17-18H,2,6-7,10-11H2,1,3-5H3
InChIKeyAZDQPEKSNIUKDJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.70
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine

1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 105039435) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID105039435
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1cc(C)ccc1C
InChIInChI=1S/C17H27N/c1-6-11-18-17(10-7-13(2)3)16-12-14(4)8-9-15(16)5/h8-9,12,17-18H,2,6-7,10-11H2,1,3-5H3
InChIKeyAZDQPEKSNIUKDJ-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
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

1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114906796
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
CID 114471492
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005528
6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
CID 105182618

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine (CID 105039435) is 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is AZDQPEKSNIUKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-6-11-18-17(10-7-13(2)3)16-12-14(4)8-9-15(16)5/h8-9,12,17-18H,2,6-7,10-11H2,1,3-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 105039435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).