4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline

C14H24N2 — CID 62134512

IUPAC4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1ccc(CN)c(C)c1
InChIInChI=1S/C14H24N2/c1-5-6-12(3)16(4)14-8-7-13(10-15)11(2)9-14/h7-9,12H,5-6,10,15H2,1-4H3
InChIKeyNBYXHBVNWIOMLT-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.08
Rot. Bonds5

About 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline

4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline (PubChem CID 62134512) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
PubChem CID62134512
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1ccc(CN)c(C)c1
InChIInChI=1S/C14H24N2/c1-5-6-12(3)16(4)14-8-7-13(10-15)11(2)9-14/h7-9,12H,5-6,10,15H2,1-4H3
InChIKeyNBYXHBVNWIOMLT-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 62128610
N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
CID 62134513
4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline
CID 62129455
1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine
CID 62910764
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-(aminomethyl)-N-butan-2-yl-N-butyl-3-methylaniline
CID 55038784
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
4-(aminomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965313
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
CID 104552910
2-[4-(aminomethyl)-3-methyl-N-propan-2-ylanilino]acetamide
CID 62130970
4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 113295417
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline (CID 62134512) is 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline is CCCC(C)N(C)c1ccc(CN)c(C)c1.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline?
The InChIKey is NBYXHBVNWIOMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-6-12(3)16(4)14-8-7-13(10-15)11(2)9-14/h7-9,12H,5-6,10,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline?
4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline is sourced from PubChem (CID 62134512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).