N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine

C15H32N2S — CID 112664977

IUPACN-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCSCC(C)N(C)CC1(CNC(C)C)CCCC1
InChIInChI=1S/C15H32N2S/c1-13(2)16-11-15(8-6-7-9-15)12-17(4)14(3)10-18-5/h13-14,16H,6-12H2,1-5H3
InChIKeyPVHSLORWYOGBNC-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.23
Rot. Bonds8

About N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine

N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 112664977) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID112664977
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC NameN-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCSCC(C)N(C)CC1(CNC(C)C)CCCC1
InChIInChI=1S/C15H32N2S/c1-13(2)16-11-15(8-6-7-9-15)12-17(4)14(3)10-18-5/h13-14,16H,6-12H2,1-5H3
InChIKeyPVHSLORWYOGBNC-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665025
N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 112664935
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pentan-2-amine
CID 62257887
1-methoxy-N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
CID 62257644
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
N-methyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987455
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664870
N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 115987485
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62263942
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
CID 102997141

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine (CID 112664977) is N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine is CSCC(C)N(C)CC1(CNC(C)C)CCCC1.
What is the InChIKey of N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is PVHSLORWYOGBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-13(2)16-11-15(8-6-7-9-15)12-17(4)14(3)10-18-5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine?
N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 272.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 112664977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).