4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline

C13H20N2 — CID 43568641

IUPAC4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
SMILESCC(C1CC1)N(C)c1ccc(CN)cc1
InChIInChI=1S/C13H20N2/c1-10(12-5-6-12)15(2)13-7-3-11(9-14)4-8-13/h3-4,7-8,10,12H,5-6,9,14H2,1-2H3
InChIKeyLOONHZCVJKMCOT-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.38
Rot. Bonds4

About 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline

4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline (PubChem CID 43568641) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
PubChem CID43568641
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
SMILESCC(C1CC1)N(C)c1ccc(CN)cc1
InChIInChI=1S/C13H20N2/c1-10(12-5-6-12)15(2)13-7-3-11(9-14)4-8-13/h3-4,7-8,10,12H,5-6,9,14H2,1-2H3
InChIKeyLOONHZCVJKMCOT-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 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 ≤ 52.38
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-cyclopropylethyl)-N-methylaniline
CID 134851823
4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline
CID 114066044
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43569588
N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide
CID 83146456
6-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 83122563
4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline
CID 114017570
5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
CID 80630561
2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide
CID 43275576
5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine
CID 113388491
1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 43568840
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline (CID 43568641) is 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline is CC(C1CC1)N(C)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline?
The InChIKey is LOONHZCVJKMCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(12-5-6-12)15(2)13-7-3-11(9-14)4-8-13/h3-4,7-8,10,12H,5-6,9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline?
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline is sourced from PubChem (CID 43568641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).