methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne

C14H42N4OS — CID 162171856

IUPACmethanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne
SMILESC.C#CC.CN.CNC.CNC.CO.CS.[H]N=C(C)C
InChIInChI=1S/C3H7N.C3H4.2C2H7N.CH5N.CH4O.CH4S.CH4/c1-3(2)4;3*1-3-2;3*1-2;/h4H,1-2H3;1H,2H3;2*3H,1-2H3;2H2,1H3;2*2H,1H3;1H4
InChIKeyZNWZKNIVVDYTHR-UHFFFAOYSA-N
MW314.58 g/mol
LogP1.72
Rot. Bonds

About methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne

methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne (PubChem CID 162171856) has the molecular formula C14H42N4OS and a molecular weight of 314.58 g/mol. Its IUPAC name is methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne.

Molecular Properties

Compound Namemethanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne
PubChem CID162171856
Molecular FormulaC14H42N4OS
Molecular Weight314.58 g/mol
Exact Mass314.31
IUPAC Namemethanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne
SMILESC.C#CC.CN.CNC.CNC.CO.CS.[H]N=C(C)C
InChIInChI=1S/C3H7N.C3H4.2C2H7N.CH5N.CH4O.CH4S.CH4/c1-3(2)4;3*1-3-2;3*1-2;/h4H,1-2H3;1H,2H3;2*3H,1-2H3;2H2,1H3;2*2H,1H3;1H4
InChIKeyZNWZKNIVVDYTHR-UHFFFAOYSA-N
XLogP1.72
TPSA94.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.58
LogP ≤ 51.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;methanethiol;prop-1-yne
CID 144528675
methane;prop-1-yne
CID 157284750
azane;N,N-dimethylmethanamine;methanamine;methanol;N-methylmethanamine
CID 158599211
methanamine;N-methylmethanamine;hydrochloride
CID 159987197
methanamine;methanol
CID 57454252
ethyne;methane;prop-1-yne;uranium
CID 157366445
methanamine;N-methylpent-4-ynamide
CID 160899629
but-2-yne;bis(prop-1-yne)
CID 159474531
fluoromethane;methanamine;methane;methanol
CID 167582197
2-methylpropane-2-thiol;propan-2-imine
CID 164871424
acetamide;bis(N-methylmethanamine)
CID 172694142
acetylene;ethane;ethene;methane;prop-1-yne
CID 162268690

Frequently Asked Questions

What is the IUPAC name of methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne?
The IUPAC name of methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne (CID 162171856) is methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne.
What is the SMILES notation for methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne?
The canonical SMILES for methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne is C.C#CC.CN.CNC.CNC.CO.CS.[H]N=C(C)C.
What is the InChIKey of methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne?
The InChIKey is ZNWZKNIVVDYTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.C3H4.2C2H7N.CH5N.CH4O.CH4S.CH4/c1-3(2)4;3*1-3-2;3*1-2;/h4H,1-2H3;1H,2H3;2*3H,1-2H3;2H2,1H3;2*2H,1H3;1H4.
What are the key properties of methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne?
methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne has a molecular weight of 314.58 g/mol, XLogP of 1.72, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methane;methanethiol;methanol;bis(N-methylmethanamine);propan-2-imine;prop-1-yne is sourced from PubChem (CID 162171856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).