N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline

C18H32N2 — CID 63550642

IUPACN-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)C(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H32N2/c1-8-11-19-13-16-9-10-17(14(2)12-16)20(7)15(3)18(4,5)6/h9-10,12,15,19H,8,11,13H2,1-7H3
InChIKeyUTTSUCYHBXZNKK-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.37
Rot. Bonds6

About N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline

N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline (PubChem CID 63550642) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
PubChem CID63550642
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)C(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H32N2/c1-8-11-19-13-16-9-10-17(14(2)12-16)20(7)15(3)18(4,5)6/h9-10,12,15,19H,8,11,13H2,1-7H3
InChIKeyUTTSUCYHBXZNKK-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline
CID 55008722
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
CID 63550593
2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120859
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 63069765
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
CID 62122948
4-[(tert-butylamino)methyl]-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81143688
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol
CID 102632987

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline (CID 63550642) is N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(C)C(C)C(C)(C)C)c(C)c1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline?
The InChIKey is UTTSUCYHBXZNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-11-19-13-16-9-10-17(14(2)12-16)20(7)15(3)18(4,5)6/h9-10,12,15,19H,8,11,13H2,1-7H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline?
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline has a molecular weight of 276.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 63550642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).