2-butan-2-ylsulfanylpentan-3-amine

C9H21NS — CID 64613429

IUPAC2-butan-2-ylsulfanylpentan-3-amine
SMILESCCC(C)SC(C)C(N)CC
InChIInChI=1S/C9H21NS/c1-5-7(3)11-8(4)9(10)6-2/h7-9H,5-6,10H2,1-4H3
InChIKeyHWIBTLWKDHPUIT-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.64
Rot. Bonds5

About 2-butan-2-ylsulfanylpentan-3-amine

2-butan-2-ylsulfanylpentan-3-amine (PubChem CID 64613429) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylpentan-3-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfanylpentan-3-amine
PubChem CID64613429
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name2-butan-2-ylsulfanylpentan-3-amine
SMILESCCC(C)SC(C)C(N)CC
InChIInChI=1S/C9H21NS/c1-5-7(3)11-8(4)9(10)6-2/h7-9H,5-6,10H2,1-4H3
InChIKeyHWIBTLWKDHPUIT-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylpentan-3-amine?
The IUPAC name of 2-butan-2-ylsulfanylpentan-3-amine (CID 64613429) is 2-butan-2-ylsulfanylpentan-3-amine.
What is the SMILES notation for 2-butan-2-ylsulfanylpentan-3-amine?
The canonical SMILES for 2-butan-2-ylsulfanylpentan-3-amine is CCC(C)SC(C)C(N)CC.
What is the InChIKey of 2-butan-2-ylsulfanylpentan-3-amine?
The InChIKey is HWIBTLWKDHPUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-5-7(3)11-8(4)9(10)6-2/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanylpentan-3-amine?
2-butan-2-ylsulfanylpentan-3-amine has a molecular weight of 175.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylpentan-3-amine is sourced from PubChem (CID 64613429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).