4-[[bis(2-methylpropyl)amino]methyl]aniline

C15H26N2 — CID 23507481

IUPAC4-[[bis(2-methylpropyl)amino]methyl]aniline
SMILESCC(C)CN(Cc1ccc(N)cc1)CC(C)C
InChIInChI=1S/C15H26N2/c1-12(2)9-17(10-13(3)4)11-14-5-7-15(16)8-6-14/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyQXFFKXNNVCXHSJ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.38
Rot. Bonds6

About 4-[[bis(2-methylpropyl)amino]methyl]aniline

4-[[bis(2-methylpropyl)amino]methyl]aniline (PubChem CID 23507481) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-[[bis(2-methylpropyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[bis(2-methylpropyl)amino]methyl]aniline
PubChem CID23507481
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-[[bis(2-methylpropyl)amino]methyl]aniline
SMILESCC(C)CN(Cc1ccc(N)cc1)CC(C)C
InChIInChI=1S/C15H26N2/c1-12(2)9-17(10-13(3)4)11-14-5-7-15(16)8-6-14/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyQXFFKXNNVCXHSJ-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.38
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'}

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Related Compounds

2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
CID 43587541
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
N'-[3-(4-aminophenyl)propyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115341967
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 71237034
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185
[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
CID 112631179
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 112820223
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]aniline
CID 60921385
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]aniline?
The IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]aniline (CID 23507481) is 4-[[bis(2-methylpropyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[bis(2-methylpropyl)amino]methyl]aniline?
The canonical SMILES for 4-[[bis(2-methylpropyl)amino]methyl]aniline is CC(C)CN(Cc1ccc(N)cc1)CC(C)C.
What is the InChIKey of 4-[[bis(2-methylpropyl)amino]methyl]aniline?
The InChIKey is QXFFKXNNVCXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)9-17(10-13(3)4)11-14-5-7-15(16)8-6-14/h5-8,12-13H,9-11,16H2,1-4H3.
What are the key properties of 4-[[bis(2-methylpropyl)amino]methyl]aniline?
4-[[bis(2-methylpropyl)amino]methyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methylpropyl)amino]methyl]aniline is sourced from PubChem (CID 23507481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).