2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine

C13H30N4 — CID 82889191

IUPAC2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCN1CCN(C)CC1
InChIInChI=1S/C13H30N4/c1-5-13(2,12-14)16(4)8-11-17-9-6-15(3)7-10-17/h5-12,14H2,1-4H3
InChIKeyQFUZJCGEMLHHSM-UHFFFAOYSA-N
MW242.41 g/mol
LogP0.29
Rot. Bonds6

About 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine

2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine (PubChem CID 82889191) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
PubChem CID82889191
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC Name2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCN1CCN(C)CC1
InChIInChI=1S/C13H30N4/c1-5-13(2,12-14)16(4)8-11-17-9-6-15(3)7-10-17/h5-12,14H2,1-4H3
InChIKeyQFUZJCGEMLHHSM-UHFFFAOYSA-N
XLogP0.29
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine (CID 82889191) is 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine is CCC(C)(CN)N(C)CCN1CCN(C)CC1.
What is the InChIKey of 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine?
The InChIKey is QFUZJCGEMLHHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-5-13(2,12-14)16(4)8-11-17-9-6-15(3)7-10-17/h5-12,14H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine?
2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine is sourced from PubChem (CID 82889191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).