ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine

C11H26N4 — CID 142368379

IUPACethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine
SMILESCC.CN1CCN(C2CN(CN)C2)CC1
InChIInChI=1S/C9H20N4.C2H6/c1-11-2-4-13(5-3-11)9-6-12(7-9)8-10;1-2/h9H,2-8,10H2,1H3;1-2H3
InChIKeyWXCTZUOHRZCHFQ-UHFFFAOYSA-N
MW214.36 g/mol
LogP-0.14
Rot. Bonds2

About ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine

ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine (PubChem CID 142368379) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine.

Molecular Properties

Compound Nameethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine
PubChem CID142368379
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Nameethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine
SMILESCC.CN1CCN(C2CN(CN)C2)CC1
InChIInChI=1S/C9H20N4.C2H6/c1-11-2-4-13(5-3-11)9-6-12(7-9)8-10;1-2/h9H,2-8,10H2,1H3;1-2H3
InChIKeyWXCTZUOHRZCHFQ-UHFFFAOYSA-N
XLogP-0.14
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
1-(1-iodoazetidin-3-yl)-4-methylpiperazine
CID 152901586
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126891800
ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine
CID 142368232
ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
3-(azetidin-1-yl)-1-methylazetidine;ethane
CID 170747536
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092
1,4-dimethylpiperazine;ethane
CID 91292414
N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine
CID 126891791

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine?
The IUPAC name of ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine (CID 142368379) is ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine.
What is the SMILES notation for ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine?
The canonical SMILES for ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine is CC.CN1CCN(C2CN(CN)C2)CC1.
What is the InChIKey of ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine?
The InChIKey is WXCTZUOHRZCHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4.C2H6/c1-11-2-4-13(5-3-11)9-6-12(7-9)8-10;1-2/h9H,2-8,10H2,1H3;1-2H3.
What are the key properties of ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine?
ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine has a molecular weight of 214.36 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine is sourced from PubChem (CID 142368379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).