2-(3-methylbutan-2-ylsulfanyl)butan-1-amine

C9H21NS — CID 107752265

IUPAC2-(3-methylbutan-2-ylsulfanyl)butan-1-amine
SMILESCCC(CN)SC(C)C(C)C
InChIInChI=1S/C9H21NS/c1-5-9(6-10)11-8(4)7(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyIBKHMCKZXNTXKS-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.50
Rot. Bonds5

About 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine

2-(3-methylbutan-2-ylsulfanyl)butan-1-amine (PubChem CID 107752265) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfanyl)butan-1-amine
PubChem CID107752265
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name2-(3-methylbutan-2-ylsulfanyl)butan-1-amine
SMILESCCC(CN)SC(C)C(C)C
InChIInChI=1S/C9H21NS/c1-5-9(6-10)11-8(4)7(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyIBKHMCKZXNTXKS-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminobutan-2-ylsulfanyl)butan-1-amine
CID 154144954
3-(3-methylbutan-2-ylsulfanyl)heptan-4-amine
CID 107763412
2-prop-2-enylsulfanylbutan-1-amine
CID 130507946
2,3-dimethylbutane;ethanamine
CID 130404430
2-ethyl-4,5-dimethylhexan-1-amine
CID 147299389
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
4-amino-2-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107767377
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol
CID 107764947
2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107748655
2-propan-2-ylsulfanylpentan-3-amine
CID 64633850

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine (CID 107752265) is 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine is CCC(CN)SC(C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine?
The InChIKey is IBKHMCKZXNTXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-5-9(6-10)11-8(4)7(2)3/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine?
2-(3-methylbutan-2-ylsulfanyl)butan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfanyl)butan-1-amine is sourced from PubChem (CID 107752265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).