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

C17H30N2 — CID 55040116

IUPACN,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)C(C)C(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-7-10-18-12-16-8-9-17(14(4)11-16)19(6)15(5)13(2)3/h8-9,11,13,15,18H,7,10,12H2,1-6H3
InChIKeyCOWMRBWKWYRHQE-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.98
Rot. Bonds7

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

N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline (PubChem CID 55040116) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
PubChem CID55040116
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)C(C)C(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-7-10-18-12-16-8-9-17(14(4)11-16)19(6)15(5)13(2)3/h8-9,11,13,15,18H,7,10,12H2,1-6H3
InChIKeyCOWMRBWKWYRHQE-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.98
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-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
N-methyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 43570390
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
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
N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine
CID 62434485
3-fluoro-N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)aniline
CID 106532265
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,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline?
The IUPAC name of N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline (CID 55040116) is N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline.
What is the SMILES notation for N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline?
The canonical SMILES for N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(C)C(C)C(C)C)c(C)c1.
What is the InChIKey of N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline?
The InChIKey is COWMRBWKWYRHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-10-18-12-16-8-9-17(14(4)11-16)19(6)15(5)13(2)3/h8-9,11,13,15,18H,7,10,12H2,1-6H3.
What are the key properties of N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline?
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline has a molecular weight of 262.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline is sourced from PubChem (CID 55040116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).