3-methylbutan-1-amine;1-methylsulfanylpropane

C9H23NS — CID 88778818

IUPAC3-methylbutan-1-amine;1-methylsulfanylpropane
SMILESCC(C)CCN.CCCSC
InChIInChI=1S/C5H13N.C4H10S/c1-5(2)3-4-6;1-3-4-5-2/h5H,3-4,6H2,1-2H3;3-4H2,1-2H3
InChIKeyQBYHIAQGWOTTMM-UHFFFAOYSA-N
MW177.36 g/mol
LogP2.75
Rot. Bonds4

About 3-methylbutan-1-amine;1-methylsulfanylpropane

3-methylbutan-1-amine;1-methylsulfanylpropane (PubChem CID 88778818) has the molecular formula C9H23NS and a molecular weight of 177.36 g/mol. Its IUPAC name is 3-methylbutan-1-amine;1-methylsulfanylpropane.

Molecular Properties

Compound Name3-methylbutan-1-amine;1-methylsulfanylpropane
PubChem CID88778818
Molecular FormulaC9H23NS
Molecular Weight177.36 g/mol
Exact Mass177.16
IUPAC Name3-methylbutan-1-amine;1-methylsulfanylpropane
SMILESCC(C)CCN.CCCSC
InChIInChI=1S/C5H13N.C4H10S/c1-5(2)3-4-6;1-3-4-5-2/h5H,3-4,6H2,1-2H3;3-4H2,1-2H3
InChIKeyQBYHIAQGWOTTMM-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane
CID 178163372
ethane;methanamine;1-methylsulfanylpropane
CID 143338871
2-methylbutan-2-amine;3-methylbutan-1-amine
CID 159699136
1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892
ethanamine;2-methylpentane
CID 143240474
tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine
CID 159339415
dihydroxy(oxo)phosphanium;3-methylbutan-1-amine
CID 22056543
7-ethyl-9-methylsulfanylnonan-1-amine
CID 153391271
2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 79483686
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
36-methylheptatriacontan-1-amine
CID 134324173
(3S)-3-methylsulfanylbutan-1-amine
CID 51892089

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-amine;1-methylsulfanylpropane?
The IUPAC name of 3-methylbutan-1-amine;1-methylsulfanylpropane (CID 88778818) is 3-methylbutan-1-amine;1-methylsulfanylpropane.
What is the SMILES notation for 3-methylbutan-1-amine;1-methylsulfanylpropane?
The canonical SMILES for 3-methylbutan-1-amine;1-methylsulfanylpropane is CC(C)CCN.CCCSC.
What is the InChIKey of 3-methylbutan-1-amine;1-methylsulfanylpropane?
The InChIKey is QBYHIAQGWOTTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C4H10S/c1-5(2)3-4-6;1-3-4-5-2/h5H,3-4,6H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 3-methylbutan-1-amine;1-methylsulfanylpropane?
3-methylbutan-1-amine;1-methylsulfanylpropane has a molecular weight of 177.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-amine;1-methylsulfanylpropane is sourced from PubChem (CID 88778818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).