N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

C19H30N2 — CID 114594245

IUPACN-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(N2CC(C)CC(C)C2C)ccc1CNC1CC1
InChIInChI=1S/C19H30N2/c1-13-9-14(2)16(4)21(12-13)19-8-5-17(15(3)10-19)11-20-18-6-7-18/h5,8,10,13-14,16,18,20H,6-7,9,11-12H2,1-4H3
InChIKeyYBUHABXXUQJSFM-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.12
Rot. Bonds4

About N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114594245) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID114594245
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(N2CC(C)CC(C)C2C)ccc1CNC1CC1
InChIInChI=1S/C19H30N2/c1-13-9-14(2)16(4)21(12-13)19-8-5-17(15(3)10-19)11-20-18-6-7-18/h5,8,10,13-14,16,18,20H,6-7,9,11-12H2,1-4H3
InChIKeyYBUHABXXUQJSFM-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.12
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-(3,5-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62136029
N-[[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114594212
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533057
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 63633586
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593511
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62130836
N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 55038787
N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114597283
N-[[4-(4-benzylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 113228612
4-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-1-methylpiperazin-2-one
CID 64694312
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965446

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (CID 114594245) is N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is Cc1cc(N2CC(C)CC(C)C2C)ccc1CNC1CC1.
What is the InChIKey of N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is YBUHABXXUQJSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-13-9-14(2)16(4)21(12-13)19-8-5-17(15(3)10-19)11-20-18-6-7-18/h5,8,10,13-14,16,18,20H,6-7,9,11-12H2,1-4H3.
What are the key properties of N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 286.46 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114594245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).