N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine

C14H28N2S — CID 114238281

IUPACN-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine
SMILESCSC1CCN(C(C)C(C)CNC2CC2)CC1
InChIInChI=1S/C14H28N2S/c1-11(10-15-13-4-5-13)12(2)16-8-6-14(17-3)7-9-16/h11-15H,4-10H2,1-3H3
InChIKeyZZFVVAPOBLMQEB-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds6

About N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine

N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine (PubChem CID 114238281) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine
PubChem CID114238281
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine
SMILESCSC1CCN(C(C)C(C)CNC2CC2)CC1
InChIInChI=1S/C14H28N2S/c1-11(10-15-13-4-5-13)12(2)16-8-6-14(17-3)7-9-16/h11-15H,4-10H2,1-3H3
InChIKeyZZFVVAPOBLMQEB-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
CID 79409298
N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408659
N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79414132
N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine
CID 79409708
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615
4-methylsulfanyl-1-propan-2-ylazepane
CID 142624919
N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79409085
(2R)-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 93033302
N-[2-(4-propan-2-ylpiperidin-1-yl)propyl]cyclopropanamine
CID 103503204
N,N-dimethyl-1-[3-methyl-4-(propan-2-ylamino)butan-2-yl]piperidin-4-amine
CID 79409671
N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408489
2-(cyclopropylamino)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237105

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine (CID 114238281) is N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine is CSC1CCN(C(C)C(C)CNC2CC2)CC1.
What is the InChIKey of N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine?
The InChIKey is ZZFVVAPOBLMQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-11(10-15-13-4-5-13)12(2)16-8-6-14(17-3)7-9-16/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine?
N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 114238281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).