ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine

C12H30N4 — CID 171070522

IUPACethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCC.CNCCNCCN1CCN(C)CC1
InChIInChI=1S/C10H24N4.C2H6/c1-11-3-4-12-5-6-14-9-7-13(2)8-10-14;1-2/h11-12H,3-10H2,1-2H3;1-2H3
InChIKeySXIJZTLSAUOEAI-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.07
Rot. Bonds6

About ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine

ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 171070522) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID171070522
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Nameethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCC.CNCCNCCN1CCN(C)CC1
InChIInChI=1S/C10H24N4.C2H6/c1-11-3-4-12-5-6-14-9-7-13(2)8-10-14;1-2/h11-12H,3-10H2,1-2H3;1-2H3
InChIKeySXIJZTLSAUOEAI-UHFFFAOYSA-N
XLogP0.07
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.07
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-(2-bromoethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 46738419
N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 130246433
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
N-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]methanesulfonamide
CID 82888935
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
CID 61386658
2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide
CID 114384829
2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine
CID 82888946
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine (CID 171070522) is ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine is CC.CNCCNCCN1CCN(C)CC1.
What is the InChIKey of ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is SXIJZTLSAUOEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.C2H6/c1-11-3-4-12-5-6-14-9-7-13(2)8-10-14;1-2/h11-12H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 171070522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).