N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline

C13H20N2 — CID 115635128

IUPACN,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline
SMILESCN(C)c1ccc(CNC2(C)CC2)cc1
InChIInChI=1S/C13H20N2/c1-13(8-9-13)14-10-11-4-6-12(7-5-11)15(2)3/h4-7,14H,8-10H2,1-3H3
InChIKeyRLTVXGOXJQJQND-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.39
Rot. Bonds4

About N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline

N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline (PubChem CID 115635128) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline
PubChem CID115635128
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline
SMILESCN(C)c1ccc(CNC2(C)CC2)cc1
InChIInChI=1S/C13H20N2/c1-13(8-9-13)14-10-11-4-6-12(7-5-11)15(2)3/h4-7,14H,8-10H2,1-3H3
InChIKeyRLTVXGOXJQJQND-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.39
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

N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
CID 113321797
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832
N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine
CID 115654216
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
4-[4-[4-(dimethylamino)phenyl]-1,4-bis[4-(methylaminomethyl)phenyl]cyclohexyl]-N,N-dimethylaniline
CID 153497949
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171925
N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine
CID 115702499
N-[[4-(diethylamino)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679696
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 115635136
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline (CID 115635128) is N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline is CN(C)c1ccc(CNC2(C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline?
The InChIKey is RLTVXGOXJQJQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(8-9-13)14-10-11-4-6-12(7-5-11)15(2)3/h4-7,14H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline?
N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline is sourced from PubChem (CID 115635128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).