6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline

C15H23N — CID 155697680

IUPAC6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline
SMILESC=C(C)CCc1c(CCC)ccc(C)c1N
InChIInChI=1S/C15H23N/c1-5-6-13-9-8-12(4)15(16)14(13)10-7-11(2)3/h8-9H,2,5-7,10,16H2,1,3-4H3
InChIKeyITLUIOWJTSKBGC-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.04
Rot. Bonds5

About 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline

6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline (PubChem CID 155697680) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline.

Molecular Properties

Compound Name6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline
PubChem CID155697680
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline
SMILESC=C(C)CCc1c(CCC)ccc(C)c1N
InChIInChI=1S/C15H23N/c1-5-6-13-9-8-12(4)15(16)14(13)10-7-11(2)3/h8-9H,2,5-7,10,16H2,1,3-4H3
InChIKeyITLUIOWJTSKBGC-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;3,4-dipropylbenzene-1,2-diamine
CID 22352094
2-amino-3,6-dipropylphenol
CID 134347282
2-methyl-3,4-dipropylaniline
CID 70515438
1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene
CID 143732231
ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene
CID 143112871
3,4-dibutylbenzene-1,2-diamine
CID 18764845
6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol
CID 19877287
(2-amino-3,6-dimethylphenyl)methanol
CID 57370658
1-ethyl-3-fluoro-2-methyl-4-(3-methylbut-3-enyl)benzene
CID 91881785
4-(3-methylbut-3-enyl)aniline
CID 126710999
4,4,7-trimethyl-8-(3-methylbut-3-enyl)-2,3-dihydro-1H-naphthalene
CID 177395531
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline?
The IUPAC name of 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline (CID 155697680) is 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline.
What is the SMILES notation for 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline?
The canonical SMILES for 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline is C=C(C)CCc1c(CCC)ccc(C)c1N.
What is the InChIKey of 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline?
The InChIKey is ITLUIOWJTSKBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-6-13-9-8-12(4)15(16)14(13)10-7-11(2)3/h8-9H,2,5-7,10,16H2,1,3-4H3.
What are the key properties of 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline?
6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline is sourced from PubChem (CID 155697680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).