methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane

C9H27N3OS — CID 145081546

IUPACmethanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane
SMILESCN1CCN(CCCN)CC1.CO.S.[H][H]
InChIInChI=1S/C8H19N3.CH4O.H2S.H2/c1-10-5-7-11(8-6-10)4-2-3-9;1-2;;/h2-9H2,1H3;2H,1H3;1H2;1H
InChIKeyRAHJXTUJDIHQBA-UHFFFAOYSA-N
MW225.40 g/mol
LogP-0.45
Rot. Bonds3

About methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane

methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane (PubChem CID 145081546) has the molecular formula C9H27N3OS and a molecular weight of 225.40 g/mol. Its IUPAC name is methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane.

Molecular Properties

Compound Namemethanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane
PubChem CID145081546
Molecular FormulaC9H27N3OS
Molecular Weight225.40 g/mol
Exact Mass225.19
IUPAC Namemethanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane
SMILESCN1CCN(CCCN)CC1.CO.S.[H][H]
InChIInChI=1S/C8H19N3.CH4O.H2S.H2/c1-10-5-7-11(8-6-10)4-2-3-9;1-2;;/h2-9H2,1H3;2H,1H3;1H2;1H
InChIKeyRAHJXTUJDIHQBA-UHFFFAOYSA-N
XLogP-0.45
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
dimethyl-[3-(4-methylpiperazin-1-yl)propyl]phosphane
CID 154936752
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742
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
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 117235833
1-[4-(3-aminopropyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 28705883

Frequently Asked Questions

What is the IUPAC name of methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane?
The IUPAC name of methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane (CID 145081546) is methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane.
What is the SMILES notation for methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane?
The canonical SMILES for methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane is CN1CCN(CCCN)CC1.CO.S.[H][H].
What is the InChIKey of methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane?
The InChIKey is RAHJXTUJDIHQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.CH4O.H2S.H2/c1-10-5-7-11(8-6-10)4-2-3-9;1-2;;/h2-9H2,1H3;2H,1H3;1H2;1H.
What are the key properties of methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane?
methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane has a molecular weight of 225.40 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane is sourced from PubChem (CID 145081546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).