N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine

C17H30N2S — CID 80727932

IUPACN-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
SMILESCc1sc(CNC(C)C)cc1CN(C)C1CCCCC1
InChIInChI=1S/C17H30N2S/c1-13(2)18-11-17-10-15(14(3)20-17)12-19(4)16-8-6-5-7-9-16/h10,13,16,18H,5-9,11-12H2,1-4H3
InChIKeyHBXKSDNVRVDCDC-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.32
Rot. Bonds6

About N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine

N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine (PubChem CID 80727932) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
PubChem CID80727932
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
SMILESCc1sc(CNC(C)C)cc1CN(C)C1CCCCC1
InChIInChI=1S/C17H30N2S/c1-13(2)18-11-17-10-15(14(3)20-17)12-19(4)16-8-6-5-7-9-16/h10,13,16,18H,5-9,11-12H2,1-4H3
InChIKeyHBXKSDNVRVDCDC-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine (CID 80727932) is N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine is Cc1sc(CNC(C)C)cc1CN(C)C1CCCCC1.
What is the InChIKey of N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine?
The InChIKey is HBXKSDNVRVDCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-13(2)18-11-17-10-15(14(3)20-17)12-19(4)16-8-6-5-7-9-16/h10,13,16,18H,5-9,11-12H2,1-4H3.
What are the key properties of N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine?
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine has a molecular weight of 294.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine is sourced from PubChem (CID 80727932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).