(5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine

C11H21NS — CID 65137490

IUPAC(5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine
SMILESCCC(C)SC1(CN)CC2(CC2)C1
InChIInChI=1S/C11H21NS/c1-3-9(2)13-11(8-12)6-10(7-11)4-5-10/h9H,3-8,12H2,1-2H3
InChIKeyZLOAAQVLKXRKJN-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.79
Rot. Bonds4

About (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine

(5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine (PubChem CID 65137490) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine.

Molecular Properties

Compound Name(5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine
PubChem CID65137490
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name(5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine
SMILESCCC(C)SC1(CN)CC2(CC2)C1
InChIInChI=1S/C11H21NS/c1-3-9(2)13-11(8-12)6-10(7-11)4-5-10/h9H,3-8,12H2,1-2H3
InChIKeyZLOAAQVLKXRKJN-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine?
The IUPAC name of (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine (CID 65137490) is (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine.
What is the SMILES notation for (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine?
The canonical SMILES for (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine is CCC(C)SC1(CN)CC2(CC2)C1.
What is the InChIKey of (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine?
The InChIKey is ZLOAAQVLKXRKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-3-9(2)13-11(8-12)6-10(7-11)4-5-10/h9H,3-8,12H2,1-2H3.
What are the key properties of (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine?
(5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine has a molecular weight of 199.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine is sourced from PubChem (CID 65137490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).