4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline

C15H26N2 — CID 62128610

IUPAC4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1cc(N(C)C(C)CC(C)C)ccc1CN
InChIInChI=1S/C15H26N2/c1-11(2)8-13(4)17(5)15-7-6-14(10-16)12(3)9-15/h6-7,9,11,13H,8,10,16H2,1-5H3
InChIKeyNGECJSSNSPJPLS-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.32
Rot. Bonds5

About 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline

4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 62128610) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
PubChem CID62128610
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1cc(N(C)C(C)CC(C)C)ccc1CN
InChIInChI=1S/C15H26N2/c1-11(2)8-13(4)17(5)15-7-6-14(10-16)12(3)9-15/h6-7,9,11,13H,8,10,16H2,1-5H3
InChIKeyNGECJSSNSPJPLS-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.32
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

N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N-diethyl-m-toluidine
CID 66679
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
3-(Ethyl(3-methylphenyl)amino)propanenitrile
CID 67363
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
1-(2,3-Xylyl)piperazine
CID 70541
1-(3,4-Xylyl)piperazine
CID 2723782
N-Ethyl-p-toluidine
CID 61164
4,4'-methylenebis[N,N-diethylaniline]
CID 67288

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline (CID 62128610) is 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline is Cc1cc(N(C)C(C)CC(C)C)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is NGECJSSNSPJPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)8-13(4)17(5)15-7-6-14(10-16)12(3)9-15/h6-7,9,11,13H,8,10,16H2,1-5H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline?
4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 234.39 g/mol, XLogP of 3.32, 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-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 62128610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).