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

C17H27N3 — CID 63633586

IUPACN-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(N2CCN(C)C(C)C2)ccc1CNC1CC1
InChIInChI=1S/C17H27N3/c1-13-10-17(20-9-8-19(3)14(2)12-20)7-4-15(13)11-18-16-5-6-16/h4,7,10,14,16,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyJMMQTXAABZEDSM-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.39
Rot. Bonds4

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

N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine (PubChem CID 63633586) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
PubChem CID63633586
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(N2CCN(C)C(C)C2)ccc1CNC1CC1
InChIInChI=1S/C17H27N3/c1-13-10-17(20-9-8-19(3)14(2)12-20)7-4-15(13)11-18-16-5-6-16/h4,7,10,14,16,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyJMMQTXAABZEDSM-UHFFFAOYSA-N
XLogP2.39
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine (CID 63633586) is N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine is Cc1cc(N2CCN(C)C(C)C2)ccc1CNC1CC1.
What is the InChIKey of N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The InChIKey is JMMQTXAABZEDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-10-17(20-9-8-19(3)14(2)12-20)7-4-15(13)11-18-16-5-6-16/h4,7,10,14,16,18H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63633586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).