N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine

C18H28N2 — CID 62125029

IUPACN-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1N1CCCC(C)C1C
InChIInChI=1S/C18H28N2/c1-13-5-4-10-20(15(13)3)18-9-6-16(11-14(18)2)12-19-17-7-8-17/h6,9,11,13,15,17,19H,4-5,7-8,10,12H2,1-3H3
InChIKeyLSAHOWYKJDUADZ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.87
Rot. Bonds4

About N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine

N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 62125029) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID62125029
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1N1CCCC(C)C1C
InChIInChI=1S/C18H28N2/c1-13-5-4-10-20(15(13)3)18-9-6-16(11-14(18)2)12-19-17-7-8-17/h6,9,11,13,15,17,19H,4-5,7-8,10,12H2,1-3H3
InChIKeyLSAHOWYKJDUADZ-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(chloromethyl)-2-methylphenyl]-2,3-dimethylpiperidine
CID 63567826
N-[[3-chloro-4-(2,3-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81143074
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62932457
N-[[3-chloro-4-(2,3-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81148572
4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-3-methylpiperazine-2,6-dione
CID 66063538
4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile
CID 55040279
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165022
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 63552895
N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 103535835
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 55040407
N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62286910
N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62123320

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine (CID 62125029) is N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1N1CCCC(C)C1C.
What is the InChIKey of N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is LSAHOWYKJDUADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-5-4-10-20(15(13)3)18-9-6-16(11-14(18)2)12-19-17-7-8-17/h6,9,11,13,15,17,19H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 272.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62125029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).