N-(2-methylidenebutyl)-2-propan-2-ylaniline

C14H21N — CID 66045915

IUPACN-(2-methylidenebutyl)-2-propan-2-ylaniline
SMILESC=C(CC)CNc1ccccc1C(C)C
InChIInChI=1S/C14H21N/c1-5-12(4)10-15-14-9-7-6-8-13(14)11(2)3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyDPCIGAAQIPZKJY-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.19
Rot. Bonds5

About N-(2-methylidenebutyl)-2-propan-2-ylaniline

N-(2-methylidenebutyl)-2-propan-2-ylaniline (PubChem CID 66045915) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2-methylidenebutyl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(2-methylidenebutyl)-2-propan-2-ylaniline
PubChem CID66045915
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(2-methylidenebutyl)-2-propan-2-ylaniline
SMILESC=C(CC)CNc1ccccc1C(C)C
InChIInChI=1S/C14H21N/c1-5-12(4)10-15-14-9-7-6-8-13(14)11(2)3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyDPCIGAAQIPZKJY-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.19
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
N-(2-methylidenebutyl)-2-propylaniline
CID 66044507
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
2-(2-propan-2-ylanilino)ethanol
CID 28574084
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
CID 39241882
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-pentyl-2-(2-propan-2-ylanilino)acetamide
CID 109006037
N-pentyl-2-propan-2-ylaniline
CID 29268175
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
CID 126987109

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutyl)-2-propan-2-ylaniline?
The IUPAC name of N-(2-methylidenebutyl)-2-propan-2-ylaniline (CID 66045915) is N-(2-methylidenebutyl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(2-methylidenebutyl)-2-propan-2-ylaniline?
The canonical SMILES for N-(2-methylidenebutyl)-2-propan-2-ylaniline is C=C(CC)CNc1ccccc1C(C)C.
What is the InChIKey of N-(2-methylidenebutyl)-2-propan-2-ylaniline?
The InChIKey is DPCIGAAQIPZKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-12(4)10-15-14-9-7-6-8-13(14)11(2)3/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of N-(2-methylidenebutyl)-2-propan-2-ylaniline?
N-(2-methylidenebutyl)-2-propan-2-ylaniline has a molecular weight of 203.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutyl)-2-propan-2-ylaniline is sourced from PubChem (CID 66045915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).