N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine

C15H27NS — CID 114123275

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC1CC2CCC1C2
InChIInChI=1S/C15H27NS/c1-17-15-5-3-2-4-14(15)16-10-13-9-11-6-7-12(13)8-11/h11-16H,2-10H2,1H3
InChIKeyDNAZURPMVXSFTC-UHFFFAOYSA-N
MW253.45 g/mol
LogP3.69
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine (PubChem CID 114123275) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine
PubChem CID114123275
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC1CC2CCC1C2
InChIInChI=1S/C15H27NS/c1-17-15-5-3-2-4-14(15)16-10-13-9-11-6-7-12(13)8-11/h11-16H,2-10H2,1H3
InChIKeyDNAZURPMVXSFTC-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
CID 130978957
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine
CID 115337616
N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103883980
N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
CID 103779067
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
CID 102613972
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine
CID 62734121

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine (CID 114123275) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is DNAZURPMVXSFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-17-15-5-3-2-4-14(15)16-10-13-9-11-6-7-12(13)8-11/h11-16H,2-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 114123275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).