4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline

C17H28N2 — CID 62135574

IUPAC4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline
SMILESCc1cc(N(C)CCC(C)C)ccc1CNC1CC1
InChIInChI=1S/C17H28N2/c1-13(2)9-10-19(4)17-8-5-15(14(3)11-17)12-18-16-6-7-16/h5,8,11,13,16,18H,6-7,9-10,12H2,1-4H3
InChIKeyOSAJAHAGQWLITG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.73
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline

4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline (PubChem CID 62135574) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline
PubChem CID62135574
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline
SMILESCc1cc(N(C)CCC(C)C)ccc1CNC1CC1
InChIInChI=1S/C17H28N2/c1-13(2)9-10-19(4)17-8-5-15(14(3)11-17)12-18-16-6-7-16/h5,8,11,13,16,18H,6-7,9-10,12H2,1-4H3
InChIKeyOSAJAHAGQWLITG-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.73
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': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
CID 62134168
N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
CID 78944932
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
2-N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190010
4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline
CID 62135055
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310746
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-N-methylthiolan-3-amine
CID 55038774
3-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylaniline
CID 114064593
3-chloro-4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-N-methylaniline
CID 114064733

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline (CID 62135574) is 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline is Cc1cc(N(C)CCC(C)C)ccc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline?
The InChIKey is OSAJAHAGQWLITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)9-10-19(4)17-8-5-15(14(3)11-17)12-18-16-6-7-16/h5,8,11,13,16,18H,6-7,9-10,12H2,1-4H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline?
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 62135574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).