4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline

C17H30N2 — CID 79483188

IUPAC4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline
SMILESCCC(CC)N(CCc1ccc(N)cc1)CC(C)C
InChIInChI=1S/C17H30N2/c1-5-17(6-2)19(13-14(3)4)12-11-15-7-9-16(18)10-8-15/h7-10,14,17H,5-6,11-13,18H2,1-4H3
InChIKeyAVQKSFNEKPMNHH-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.96
Rot. Bonds8

About 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline

4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline (PubChem CID 79483188) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline
PubChem CID79483188
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline
SMILESCCC(CC)N(CCc1ccc(N)cc1)CC(C)C
InChIInChI=1S/C17H30N2/c1-5-17(6-2)19(13-14(3)4)12-11-15-7-9-16(18)10-8-15/h7-10,14,17H,5-6,11-13,18H2,1-4H3
InChIKeyAVQKSFNEKPMNHH-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]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

4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
CID 43265922
3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline
CID 115342224
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
N'-[3-(4-aminophenyl)propyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115341967
4-[[bis(2-methylpropyl)amino]methyl]aniline
CID 23507481
4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
CID 115341869
4-[3-[butan-2-yl(2-methoxyethyl)amino]propyl]aniline
CID 115341943
4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline
CID 112660972
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79490766
N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine
CID 155582548

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline?
The IUPAC name of 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline (CID 79483188) is 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline.
What is the SMILES notation for 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline?
The canonical SMILES for 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline is CCC(CC)N(CCc1ccc(N)cc1)CC(C)C.
What is the InChIKey of 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline?
The InChIKey is AVQKSFNEKPMNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-17(6-2)19(13-14(3)4)12-11-15-7-9-16(18)10-8-15/h7-10,14,17H,5-6,11-13,18H2,1-4H3.
What are the key properties of 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline?
4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline has a molecular weight of 262.44 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline is sourced from PubChem (CID 79483188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).