N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine

C12H25NS — CID 115905990

IUPACN-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine
SMILESCCCC(CC)NC1CCC(SC)C1
InChIInChI=1S/C12H25NS/c1-4-6-10(5-2)13-11-7-8-12(9-11)14-3/h10-13H,4-9H2,1-3H3
InChIKeyPZOOLKXDMQDBRX-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds6

About N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine

N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine (PubChem CID 115905990) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine
PubChem CID115905990
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine
SMILESCCCC(CC)NC1CCC(SC)C1
InChIInChI=1S/C12H25NS/c1-4-6-10(5-2)13-11-7-8-12(9-11)14-3/h10-13H,4-9H2,1-3H3
InChIKeyPZOOLKXDMQDBRX-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-3-ylcyclopropanamine
CID 103920845
N-methyl-3-methylsulfanylcyclopentan-1-amine
CID 54595737
1-N-hexan-3-ylcyclohexane-1,3-diamine
CID 79458783
1-N-hexan-3-ylcyclobutane-1,3-diamine
CID 80562320
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
N-(1-cyclopropylethyl)-3-methylsulfanylcyclopentan-1-amine
CID 115677390
N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122786
N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615
2-N-(3-methylcyclopentyl)pentane-1,2-diamine
CID 114544517
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
3-(cyclopropylamino)pentan-1-ol
CID 83815190

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine (CID 115905990) is N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine is CCCC(CC)NC1CCC(SC)C1.
What is the InChIKey of N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is PZOOLKXDMQDBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-6-10(5-2)13-11-7-8-12(9-11)14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine?
N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 115905990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).