N-butan-2-ylthiepan-4-amine

C10H21NS — CID 164646547

IUPACN-butan-2-ylthiepan-4-amine
SMILESCCC(C)NC1CCCSCC1
InChIInChI=1S/C10H21NS/c1-3-9(2)11-10-5-4-7-12-8-6-10/h9-11H,3-8H2,1-2H3
InChIKeyFBOKXMWLIXHLHM-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.66
Rot. Bonds3

About N-butan-2-ylthiepan-4-amine

N-butan-2-ylthiepan-4-amine (PubChem CID 164646547) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-butan-2-ylthiepan-4-amine.

Molecular Properties

Compound NameN-butan-2-ylthiepan-4-amine
PubChem CID164646547
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-butan-2-ylthiepan-4-amine
SMILESCCC(C)NC1CCCSCC1
InChIInChI=1S/C10H21NS/c1-3-9(2)11-10-5-4-7-12-8-6-10/h9-11H,3-8H2,1-2H3
InChIKeyFBOKXMWLIXHLHM-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-2-ylthian-4-amine
CID 43394859
N-(4,4,4-trifluorobutan-2-yl)thian-4-amine
CID 103901644
N-(1-ethylsulfonylpropan-2-yl)thian-4-amine
CID 115626125
N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 62702797
N-pent-4-yn-2-ylthian-4-amine
CID 115725201
N-(5-methylheptan-3-yl)thian-4-amine
CID 115889280
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine
CID 82945113
N-(1-methylsulfanylbutan-2-yl)thian-4-amine
CID 115901705
N-(2,2-dimethylpentan-3-yl)thian-4-amine;hydrochloride
CID 115616057
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N-(4-ethylsulfanylbutan-2-yl)thian-3-amine
CID 115882201

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylthiepan-4-amine?
The IUPAC name of N-butan-2-ylthiepan-4-amine (CID 164646547) is N-butan-2-ylthiepan-4-amine.
What is the SMILES notation for N-butan-2-ylthiepan-4-amine?
The canonical SMILES for N-butan-2-ylthiepan-4-amine is CCC(C)NC1CCCSCC1.
What is the InChIKey of N-butan-2-ylthiepan-4-amine?
The InChIKey is FBOKXMWLIXHLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-9(2)11-10-5-4-7-12-8-6-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-butan-2-ylthiepan-4-amine?
N-butan-2-ylthiepan-4-amine has a molecular weight of 187.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylthiepan-4-amine is sourced from PubChem (CID 164646547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).