N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine

C18H29N3 — CID 61432717

IUPACN-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC(C)(C)N1CCN(c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C18H29N3/c1-18(2,3)21-12-10-20(11-13-21)17-8-4-15(5-9-17)14-19-16-6-7-16/h4-5,8-9,16,19H,6-7,10-14H2,1-3H3
InChIKeyGSHSAHPBDBXCSW-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.86
Rot. Bonds4

About N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 61432717) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID61432717
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC(C)(C)N1CCN(c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C18H29N3/c1-18(2,3)21-12-10-20(11-13-21)17-8-4-15(5-9-17)14-19-16-6-7-16/h4-5,8-9,16,19H,6-7,10-14H2,1-3H3
InChIKeyGSHSAHPBDBXCSW-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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'}

Analyze N-[[4-(4-tert-butylpiperazin-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

1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 43280982
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
4-[[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 122030606
1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
CID 114679392
4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide
CID 60932416
1-[4-[(cyclopropylamino)methyl]phenyl]-4-methylazepan-4-ol
CID 107405481
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine (CID 61432717) is N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine is CC(C)(C)N1CCN(c2ccc(CNC3CC3)cc2)CC1.
What is the InChIKey of N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is GSHSAHPBDBXCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(2,3)21-12-10-20(11-13-21)17-8-4-15(5-9-17)14-19-16-6-7-16/h4-5,8-9,16,19H,6-7,10-14H2,1-3H3.
What are the key properties of N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61432717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).