2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol

C15H26N2OS — CID 102631633

IUPAC2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol
SMILESCCC(N)C(c1cccs1)N(C)C1CCCCC1O
InChIInChI=1S/C15H26N2OS/c1-3-11(16)15(14-9-6-10-19-14)17(2)12-7-4-5-8-13(12)18/h6,9-13,15,18H,3-5,7-8,16H2,1-2H3
InChIKeyNNTPWMNSJAOTJH-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.76
Rot. Bonds5

About 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol

2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol (PubChem CID 102631633) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol
PubChem CID102631633
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol
SMILESCCC(N)C(c1cccs1)N(C)C1CCCCC1O
InChIInChI=1S/C15H26N2OS/c1-3-11(16)15(14-9-6-10-19-14)17(2)12-7-4-5-8-13(12)18/h6,9-13,15,18H,3-5,7-8,16H2,1-2H3
InChIKeyNNTPWMNSJAOTJH-UHFFFAOYSA-N
XLogP2.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631590
2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol
CID 102631497
2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631632
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine
CID 63955105
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
3-[(2-amino-1-thiophen-2-ylbutyl)-cyclopropylamino]propanenitrile
CID 55021870
N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55004874
2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol
CID 55022203
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-1-thiophen-2-ylbutane-1,2-diamine
CID 62978760
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 81058853
1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 55021873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol (CID 102631633) is 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol is CCC(N)C(c1cccs1)N(C)C1CCCCC1O.
What is the InChIKey of 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol?
The InChIKey is NNTPWMNSJAOTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-11(16)15(14-9-6-10-19-14)17(2)12-7-4-5-8-13(12)18/h6,9-13,15,18H,3-5,7-8,16H2,1-2H3.
What are the key properties of 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol?
2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol has a molecular weight of 282.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).