N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine

C15H31NS — CID 65091091

IUPACN-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC(C)CSC)CC1
InChIInChI=1S/C15H31NS/c1-4-6-14-7-5-8-15(10-9-14)16-11-13(2)12-17-3/h13-16H,4-12H2,1-3H3
InChIKeyLSKAMSXKHJIPCX-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.32
Rot. Bonds7

About N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine

N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine (PubChem CID 65091091) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
PubChem CID65091091
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC(C)CSC)CC1
InChIInChI=1S/C15H31NS/c1-4-6-14-7-5-8-15(10-9-14)16-11-13(2)12-17-3/h13-16H,4-12H2,1-3H3
InChIKeyLSKAMSXKHJIPCX-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65079994
N-(2-methyl-3-methylsulfanylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091044
4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol
CID 107151769
3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine
CID 64500716
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091165

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine (CID 65091091) is N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(NCC(C)CSC)CC1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine?
The InChIKey is LSKAMSXKHJIPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-4-6-14-7-5-8-15(10-9-14)16-11-13(2)12-17-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine?
N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine has a molecular weight of 257.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).