N-(2-methylidenebutyl)-2-propylaniline

C14H21N — CID 66044507

IUPACN-(2-methylidenebutyl)-2-propylaniline
SMILESC=C(CC)CNc1ccccc1CCC
InChIInChI=1S/C14H21N/c1-4-8-13-9-6-7-10-14(13)15-11-12(3)5-2/h6-7,9-10,15H,3-5,8,11H2,1-2H3
InChIKeyXJWGTDBEPSIKDD-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.02
Rot. Bonds6

About N-(2-methylidenebutyl)-2-propylaniline

N-(2-methylidenebutyl)-2-propylaniline (PubChem CID 66044507) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2-methylidenebutyl)-2-propylaniline.

Molecular Properties

Compound NameN-(2-methylidenebutyl)-2-propylaniline
PubChem CID66044507
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(2-methylidenebutyl)-2-propylaniline
SMILESC=C(CC)CNc1ccccc1CCC
InChIInChI=1S/C14H21N/c1-4-8-13-9-6-7-10-14(13)15-11-12(3)5-2/h6-7,9-10,15H,3-5,8,11H2,1-2H3
InChIKeyXJWGTDBEPSIKDD-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.02
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

2-fluoro-N-(2-methylidenebutyl)aniline
CID 66045449
2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine
CID 106759620
2-methylidene-N-(2-propylphenyl)butanamide
CID 142073975
2-ethyl-N-(2-methylprop-2-enyl)aniline
CID 60679757
N-(2-fluoroethyl)-2-propylaniline
CID 80695673
2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
CID 126987109
2-methyl-3-(2-propylanilino)propan-1-ol
CID 115872000
2-phenyl-1-(2-propylanilino)propan-2-ol
CID 62375007
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
(Z)-2-ethyl-4-(2-propylanilino)but-2-enoic acid
CID 103246185
ethane;N-(2-propylphenyl)acetamide
CID 142804217
2-[(2-methylidenebutylamino)methyl]phenol
CID 114331940

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutyl)-2-propylaniline?
The IUPAC name of N-(2-methylidenebutyl)-2-propylaniline (CID 66044507) is N-(2-methylidenebutyl)-2-propylaniline.
What is the SMILES notation for N-(2-methylidenebutyl)-2-propylaniline?
The canonical SMILES for N-(2-methylidenebutyl)-2-propylaniline is C=C(CC)CNc1ccccc1CCC.
What is the InChIKey of N-(2-methylidenebutyl)-2-propylaniline?
The InChIKey is XJWGTDBEPSIKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-8-13-9-6-7-10-14(13)15-11-12(3)5-2/h6-7,9-10,15H,3-5,8,11H2,1-2H3.
What are the key properties of N-(2-methylidenebutyl)-2-propylaniline?
N-(2-methylidenebutyl)-2-propylaniline has a molecular weight of 203.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutyl)-2-propylaniline is sourced from PubChem (CID 66044507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).