4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline

C16H26N2 — CID 62134168

IUPAC4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
SMILESCc1cc(N(C)CC(C)C)ccc1CNC1CC1
InChIInChI=1S/C16H26N2/c1-12(2)11-18(4)16-8-5-14(13(3)9-16)10-17-15-6-7-15/h5,8-9,12,15,17H,6-7,10-11H2,1-4H3
InChIKeyAJYPNQGIADWOIY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.34
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline

4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline (PubChem CID 62134168) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
PubChem CID62134168
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
SMILESCc1cc(N(C)CC(C)C)ccc1CNC1CC1
InChIInChI=1S/C16H26N2/c1-12(2)11-18(4)16-8-5-14(13(3)9-16)10-17-15-6-7-15/h5,8-9,12,15,17H,6-7,10-11H2,1-4H3
InChIKeyAJYPNQGIADWOIY-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.34
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-(3-methylbutyl)aniline
CID 62135574
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
CID 78944932
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
3-chloro-4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-N-methylaniline
CID 114064733
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310746
N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-N-methylthiolan-3-amine
CID 55038774
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
4-[(cyclopropylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62129967
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline (CID 62134168) is 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline is Cc1cc(N(C)CC(C)C)ccc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline?
The InChIKey is AJYPNQGIADWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)11-18(4)16-8-5-14(13(3)9-16)10-17-15-6-7-15/h5,8-9,12,15,17H,6-7,10-11H2,1-4H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline?
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.34, 6 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-(2-methylpropyl)aniline is sourced from PubChem (CID 62134168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).