N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline

C13H20N2 — CID 115256470

IUPACN-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline
SMILESCc1ccc(N(C)CC2(N)CC2)cc1C
InChIInChI=1S/C13H20N2/c1-10-4-5-12(8-11(10)2)15(3)9-13(14)6-7-13/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyDADGEIWFLIZNIO-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.23
Rot. Bonds3

About N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline

N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline (PubChem CID 115256470) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline
PubChem CID115256470
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline
SMILESCc1ccc(N(C)CC2(N)CC2)cc1C
InChIInChI=1S/C13H20N2/c1-10-4-5-12(8-11(10)2)15(3)9-13(14)6-7-13/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyDADGEIWFLIZNIO-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline
CID 84781400
N-[(1-aminocyclopentyl)methyl]-N,3,5-trimethylaniline
CID 62002100
N-[(1-aminocyclopropyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 115256490
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246100
N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline
CID 115256508
4-[(N,4-dimethylanilino)methyl]oxan-4-amine
CID 115295457
N-(bromomethyl)-N,3,4-trimethylaniline
CID 115261662
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693045
N,N,3,4-tetramethylaniline
CID 12595466
N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115256537
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline (CID 115256470) is N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline is Cc1ccc(N(C)CC2(N)CC2)cc1C.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline?
The InChIKey is DADGEIWFLIZNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-4-5-12(8-11(10)2)15(3)9-13(14)6-7-13/h4-5,8H,6-7,9,14H2,1-3H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline?
N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-N,3,4-trimethylaniline is sourced from PubChem (CID 115256470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).