N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine

C18H29N3 — CID 63634476

IUPACN-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C18H29N3/c1-14-11-15(12-19-16-6-7-16)5-8-17(14)21-10-9-20(4)18(2,3)13-21/h5,8,11,16,19H,6-7,9-10,12-13H2,1-4H3
InChIKeySDZIGDXPJAEJRF-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.78
Rot. Bonds4

About N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 63634476) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID63634476
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C18H29N3/c1-14-11-15(12-19-16-6-7-16)5-8-17(14)21-10-9-20(4)18(2,3)13-21/h5,8,11,16,19H,6-7,9-10,12-13H2,1-4H3
InChIKeySDZIGDXPJAEJRF-UHFFFAOYSA-N
XLogP2.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4,4-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62932457
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-[[3-chloro-4-(3,3-diethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 81146013
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62125029
[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
CID 102933693
N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62123320
[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methanamine
CID 55216553
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81150118
4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-3-methylpiperazine-2,6-dione
CID 66063538
N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 43281201

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine (CID 63634476) is N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is SDZIGDXPJAEJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-11-15(12-19-16-6-7-16)5-8-17(14)21-10-9-20(4)18(2,3)13-21/h5,8,11,16,19H,6-7,9-10,12-13H2,1-4H3.
What are the key properties of N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63634476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).