N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine

C18H31N3 — CID 62573588

IUPACN-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine
SMILESCCCCCNCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C18H31N3/c1-3-4-5-9-19-10-11-20-12-14-21(15-13-20)18-8-6-7-17(2)16-18/h6-8,16,19H,3-5,9-15H2,1-2H3
InChIKeyPEQBFZNFGANKDU-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.90
Rot. Bonds8

About N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine

N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine (PubChem CID 62573588) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine
PubChem CID62573588
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine
SMILESCCCCCNCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C18H31N3/c1-3-4-5-9-19-10-11-20-12-14-21(15-13-20)18-8-6-7-17(2)16-18/h6-8,16,19H,3-5,9-15H2,1-2H3
InChIKeyPEQBFZNFGANKDU-UHFFFAOYSA-N
XLogP2.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 62573769
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
CID 60580865
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
N-butyl-4-(3-methylphenyl)piperazine-1-carbothioamide
CID 115575040
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 56929606
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine?
The IUPAC name of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine (CID 62573588) is N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine?
The canonical SMILES for N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine is CCCCCNCCN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine?
The InChIKey is PEQBFZNFGANKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-4-5-9-19-10-11-20-12-14-21(15-13-20)18-8-6-7-17(2)16-18/h6-8,16,19H,3-5,9-15H2,1-2H3.
What are the key properties of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine?
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 62573588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).