N-[2-(3-methylbut-3-enoxy)propyl]aniline

C14H21NO — CID 114470882

IUPACN-[2-(3-methylbut-3-enoxy)propyl]aniline
SMILESC=C(C)CCOC(C)CNc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)9-10-16-13(3)11-15-14-7-5-4-6-8-14/h4-8,13,15H,1,9-11H2,2-3H3
InChIKeyCINMIIHQZARSTL-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(3-methylbut-3-enoxy)propyl]aniline

N-[2-(3-methylbut-3-enoxy)propyl]aniline (PubChem CID 114470882) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(3-methylbut-3-enoxy)propyl]aniline.

Molecular Properties

Compound NameN-[2-(3-methylbut-3-enoxy)propyl]aniline
PubChem CID114470882
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(3-methylbut-3-enoxy)propyl]aniline
SMILESC=C(C)CCOC(C)CNc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)9-10-16-13(3)11-15-14-7-5-4-6-8-14/h4-8,13,15H,1,9-11H2,2-3H3
InChIKeyCINMIIHQZARSTL-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-methylbut-3-enoxy)propyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Hydroxyethyl)aniline
CID 31235
N-Phenylglycine ethyl ester
CID 75190
Dimethyl-(4-{[(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-phenyl)-amine hydrochloride
CID 2960152
1-Methoxy-3-phenylamino-propan-2-ol
CID 3144953
1-(4-Methylanilino)propan-2-ol
CID 18674580
N-[2-(morpholin-4-yl)ethyl]aniline
CID 2737013
Aniline, N-((2-aminoethoxy)methyl)-
CID 211218
Ethanol, 2-anilino-, hydrochloride
CID 218691
N-(2-methoxyethyl)aniline
CID 1581105
Benzenamine, N-(2-methoxyethyl)-N-methyl-
CID 11844015
N-(2,2-Diethoxyethyl)aniline
CID 519978
1-Ethoxy-3-phenylamino-propan-2-ol
CID 3144954

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbut-3-enoxy)propyl]aniline?
The IUPAC name of N-[2-(3-methylbut-3-enoxy)propyl]aniline (CID 114470882) is N-[2-(3-methylbut-3-enoxy)propyl]aniline.
What is the SMILES notation for N-[2-(3-methylbut-3-enoxy)propyl]aniline?
The canonical SMILES for N-[2-(3-methylbut-3-enoxy)propyl]aniline is C=C(C)CCOC(C)CNc1ccccc1.
What is the InChIKey of N-[2-(3-methylbut-3-enoxy)propyl]aniline?
The InChIKey is CINMIIHQZARSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)9-10-16-13(3)11-15-14-7-5-4-6-8-14/h4-8,13,15H,1,9-11H2,2-3H3.
What are the key properties of N-[2-(3-methylbut-3-enoxy)propyl]aniline?
N-[2-(3-methylbut-3-enoxy)propyl]aniline has a molecular weight of 219.33 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbut-3-enoxy)propyl]aniline is sourced from PubChem (CID 114470882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).