ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen

C18H35N3 — CID 156794443

IUPACethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
SMILESCC.CC(C)CN1CCN(Cc2ccc(CN)cc2)CC1.[H][H]
InChIInChI=1S/C16H27N3.C2H6.H2/c1-14(2)12-18-7-9-19(10-8-18)13-16-5-3-15(11-17)4-6-16;1-2;/h3-6,14H,7-13,17H2,1-2H3;1-2H3;1H
InChIKeySTNQSPAONYKZAF-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.19
Rot. Bonds5

About ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen

ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen (PubChem CID 156794443) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
PubChem CID156794443
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Nameethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
SMILESCC.CC(C)CN1CCN(Cc2ccc(CN)cc2)CC1.[H][H]
InChIInChI=1S/C16H27N3.C2H6.H2/c1-14(2)12-18-7-9-19(10-8-18)13-16-5-3-15(11-17)4-6-16;1-2;/h3-6,14H,7-13,17H2,1-2H3;1-2H3;1H
InChIKeySTNQSPAONYKZAF-UHFFFAOYSA-N
XLogP3.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen 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-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
CID 155740671
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine
CID 155200662
[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine
CID 62777478
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 62776718
2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43252940
[3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine
CID 174866108

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen?
The IUPAC name of ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen (CID 156794443) is ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen.
What is the SMILES notation for ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen?
The canonical SMILES for ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen is CC.CC(C)CN1CCN(Cc2ccc(CN)cc2)CC1.[H][H].
What is the InChIKey of ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen?
The InChIKey is STNQSPAONYKZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3.C2H6.H2/c1-14(2)12-18-7-9-19(10-8-18)13-16-5-3-15(11-17)4-6-16;1-2;/h3-6,14H,7-13,17H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen?
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen has a molecular weight of 293.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen is sourced from PubChem (CID 156794443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).