N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine

C12H25NS — CID 103786645

IUPACN-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine
SMILESCCCCC(C)NC1CCCC1SC
InChIInChI=1S/C12H25NS/c1-4-5-7-10(2)13-11-8-6-9-12(11)14-3/h10-13H,4-9H2,1-3H3
InChIKeyLRLZUNKRNROBQP-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds6

About N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine

N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103786645) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine
PubChem CID103786645
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine
SMILESCCCCC(C)NC1CCCC1SC
InChIInChI=1S/C12H25NS/c1-4-5-7-10(2)13-11-8-6-9-12(11)14-3/h10-13H,4-9H2,1-3H3
InChIKeyLRLZUNKRNROBQP-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-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
CID 103729880
2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
CID 115893163
2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine
CID 113250285
N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine
CID 103786640
N-hexan-2-yl-2-methoxycyclohexan-1-amine
CID 62199829
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
N-(4-methylpentyl)-2-methylsulfanylcyclopentan-1-amine
CID 102672397
[2-(octan-2-ylamino)cyclopentyl]methanol
CID 115723808
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
2-(octan-2-ylamino)cyclopentane-1-carbonitrile
CID 62743523
N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine
CID 75428385
N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 113260733

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine (CID 103786645) is N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine is CCCCC(C)NC1CCCC1SC.
What is the InChIKey of N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is LRLZUNKRNROBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-5-7-10(2)13-11-8-6-9-12(11)14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine?
N-hexan-2-yl-2-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-2-yl-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103786645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).