2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine

C17H30N2S — CID 62616023

IUPAC2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN(C)C(C)c1cccs1
InChIInChI=1S/C17H30N2S/c1-4-11-18-16-9-6-5-8-15(16)13-19(3)14(2)17-10-7-12-20-17/h7,10,12,14-16,18H,4-6,8-9,11,13H2,1-3H3
InChIKeyYULZMKDGLHGVGB-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.30
Rot. Bonds7

About 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine

2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 62616023) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID62616023
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN(C)C(C)c1cccs1
InChIInChI=1S/C17H30N2S/c1-4-11-18-16-9-6-5-8-15(16)13-19(3)14(2)17-10-7-12-20-17/h7,10,12,14-16,18H,4-6,8-9,11,13H2,1-3H3
InChIKeyYULZMKDGLHGVGB-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62562744
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine
CID 66244987
2,2-dimethyl-6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 79852664
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
N-propyl-2-thiophen-2-ylcyclohexan-1-amine
CID 62603861
N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494623
2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494821
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine (CID 62616023) is 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CN(C)C(C)c1cccs1.
What is the InChIKey of 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is YULZMKDGLHGVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-11-18-16-9-6-5-8-15(16)13-19(3)14(2)17-10-7-12-20-17/h7,10,12,14-16,18H,4-6,8-9,11,13H2,1-3H3.
What are the key properties of 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine?
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62616023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).