N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine

C12H23NS — CID 115886386

IUPACN-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCSCCC(C)NC1CC2CCC1C2
InChIInChI=1S/C12H23NS/c1-9(5-6-14-2)13-12-8-10-3-4-11(12)7-10/h9-13H,3-8H2,1-2H3
InChIKeyLCASVUTZTNDQFB-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds5

About N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine

N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115886386) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115886386
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCSCCC(C)NC1CC2CCC1C2
InChIInChI=1S/C12H23NS/c1-9(5-6-14-2)13-12-8-10-3-4-11(12)7-10/h9-13H,3-8H2,1-2H3
InChIKeyLCASVUTZTNDQFB-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol
CID 98442571
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbutanamide
CID 104908561
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide
CID 115891278
N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
CID 61308965
(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 98111949
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
CID 77045511
3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine
CID 104871600
N-(1-piperidin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 79537041
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine (CID 115886386) is N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine is CSCCC(C)NC1CC2CCC1C2.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is LCASVUTZTNDQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-9(5-6-14-2)13-12-8-10-3-4-11(12)7-10/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115886386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).