N-ethylpropan-1-amine;methanethiol;propane

C9H25NS — CID 143432965

IUPACN-ethylpropan-1-amine;methanethiol;propane
SMILESCCC.CCCNCC.CS
InChIInChI=1S/C5H13N.C3H8.CH4S/c1-3-5-6-4-2;1-3-2;1-2/h6H,3-5H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyBEPMMPJQXNAGBX-UHFFFAOYSA-N
MW179.37 g/mol
LogP2.97
Rot. Bonds3

About N-ethylpropan-1-amine;methanethiol;propane

N-ethylpropan-1-amine;methanethiol;propane (PubChem CID 143432965) has the molecular formula C9H25NS and a molecular weight of 179.37 g/mol. Its IUPAC name is N-ethylpropan-1-amine;methanethiol;propane.

Molecular Properties

Compound NameN-ethylpropan-1-amine;methanethiol;propane
PubChem CID143432965
Molecular FormulaC9H25NS
Molecular Weight179.37 g/mol
Exact Mass179.17
IUPAC NameN-ethylpropan-1-amine;methanethiol;propane
SMILESCCC.CCCNCC.CS
InChIInChI=1S/C5H13N.C3H8.CH4S/c1-3-5-6-4-2;1-3-2;1-2/h6H,3-5H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyBEPMMPJQXNAGBX-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;N-ethylpropan-1-amine
CID 118663401
ethane;N-ethylpropan-1-amine;molecular hydrogen
CID 153336858
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N-ethylpropan-1-amine;2-methylpentane
CID 171506483
ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine
CID 144711980
N-ethyl-3-methyl-N'-propylpentane-1,5-diamine
CID 163901497
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
4-amino-2-chlorobenzenethiol;N-ethylpropan-1-amine
CID 162521618
(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride
CID 19956382
ethane;propane;propan-1-ol;N-propylpropan-1-amine
CID 143703279
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N,N'-diethylpentane-1,5-diamine
CID 15013244

Frequently Asked Questions

What is the IUPAC name of N-ethylpropan-1-amine;methanethiol;propane?
The IUPAC name of N-ethylpropan-1-amine;methanethiol;propane (CID 143432965) is N-ethylpropan-1-amine;methanethiol;propane.
What is the SMILES notation for N-ethylpropan-1-amine;methanethiol;propane?
The canonical SMILES for N-ethylpropan-1-amine;methanethiol;propane is CCC.CCCNCC.CS.
What is the InChIKey of N-ethylpropan-1-amine;methanethiol;propane?
The InChIKey is BEPMMPJQXNAGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C3H8.CH4S/c1-3-5-6-4-2;1-3-2;1-2/h6H,3-5H2,1-2H3;3H2,1-2H3;2H,1H3.
What are the key properties of N-ethylpropan-1-amine;methanethiol;propane?
N-ethylpropan-1-amine;methanethiol;propane has a molecular weight of 179.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropan-1-amine;methanethiol;propane is sourced from PubChem (CID 143432965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).