N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine

C16H28N4 — CID 10492743

IUPACN'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine
SMILESCc1ccccc1N1CCN(CCCNCCN)CC1
InChIInChI=1S/C16H28N4/c1-15-5-2-3-6-16(15)20-13-11-19(12-14-20)10-4-8-18-9-7-17/h2-3,5-6,18H,4,7-14,17H2,1H3
InChIKeyGANJIYLQHUPPDL-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.06
Rot. Bonds7

About N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine

N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine (PubChem CID 10492743) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine
PubChem CID10492743
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine
SMILESCc1ccccc1N1CCN(CCCNCCN)CC1
InChIInChI=1S/C16H28N4/c1-15-5-2-3-6-16(15)20-13-11-19(12-14-20)10-4-8-18-9-7-17/h2-3,5-6,18H,4,7-14,17H2,1H3
InChIKeyGANJIYLQHUPPDL-UHFFFAOYSA-N
XLogP1.06
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042302
3-[4-(2-phenylphenyl)piperazin-1-yl]propan-1-amine
CID 140972357
3-[4-(2-methylsulfonylphenyl)piperazin-1-yl]propan-1-amine
CID 60871423
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
N'-[2-[4-[4-(2-methylphenyl)butyl]piperazin-1-yl]ethyl]ethane-1,2-diamine;1,2,4-trimethylbenzene
CID 143637935
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
CID 10664387
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride
CID 6451642

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine (CID 10492743) is N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine is Cc1ccccc1N1CCN(CCCNCCN)CC1.
What is the InChIKey of N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine?
The InChIKey is GANJIYLQHUPPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-15-5-2-3-6-16(15)20-13-11-19(12-14-20)10-4-8-18-9-7-17/h2-3,5-6,18H,4,7-14,17H2,1H3.
What are the key properties of N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine?
N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine is sourced from PubChem (CID 10492743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).