2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine

C16H28N2S — CID 66386729

IUPAC2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine
SMILESCCC(C)(C)C1CCC(NCc2sccc2N)CC1
InChIInChI=1S/C16H28N2S/c1-4-16(2,3)12-5-7-13(8-6-12)18-11-15-14(17)9-10-19-15/h9-10,12-13,18H,4-8,11,17H2,1-3H3
InChIKeyMPZRQMUDAQCXJO-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.41
Rot. Bonds5

About 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine

2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine (PubChem CID 66386729) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine
PubChem CID66386729
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine
SMILESCCC(C)(C)C1CCC(NCc2sccc2N)CC1
InChIInChI=1S/C16H28N2S/c1-4-16(2,3)12-5-7-13(8-6-12)18-11-15-14(17)9-10-19-15/h9-10,12-13,18H,4-8,11,17H2,1-3H3
InChIKeyMPZRQMUDAQCXJO-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine with MolForge

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Related Compounds

1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 66387768
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63423900
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 63242595
2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine
CID 66385415
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
CID 60664775
2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine
CID 66385813

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine (CID 66386729) is 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine is CCC(C)(C)C1CCC(NCc2sccc2N)CC1.
What is the InChIKey of 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine?
The InChIKey is MPZRQMUDAQCXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-16(2,3)12-5-7-13(8-6-12)18-11-15-14(17)9-10-19-15/h9-10,12-13,18H,4-8,11,17H2,1-3H3.
What are the key properties of 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine?
2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine has a molecular weight of 280.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine is sourced from PubChem (CID 66386729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).