2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

C17H30N2S — CID 79485681

IUPAC2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN(C)CCc2cccs2)C1
InChIInChI=1S/C17H30N2S/c1-13(2)14-6-7-17(18)15(11-14)12-19(3)9-8-16-5-4-10-20-16/h4-5,10,13-15,17H,6-9,11-12,18H2,1-3H3
InChIKeyHZXMRDPIUKWTMT-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.62
Rot. Bonds6

About 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 79485681) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID79485681
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN(C)CCc2cccs2)C1
InChIInChI=1S/C17H30N2S/c1-13(2)14-6-7-17(18)15(11-14)12-19(3)9-8-16-5-4-10-20-16/h4-5,10,13-15,17H,6-9,11-12,18H2,1-3H3
InChIKeyHZXMRDPIUKWTMT-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine
CID 79488069
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-[[cyclopropylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62709059
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
CID 81029489
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 115214158
2-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63401679
4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62703961
4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774381
2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63481963

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 79485681) is 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(CN(C)CCc2cccs2)C1.
What is the InChIKey of 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is HZXMRDPIUKWTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-13(2)14-6-7-17(18)15(11-14)12-19(3)9-8-16-5-4-10-20-16/h4-5,10,13-15,17H,6-9,11-12,18H2,1-3H3.
What are the key properties of 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79485681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).