2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol

C15H25NOS — CID 79486270

IUPAC2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
SMILESCC(Cc1cccs1)N(C)C1CCCCCC1O
InChIInChI=1S/C15H25NOS/c1-12(11-13-7-6-10-18-13)16(2)14-8-4-3-5-9-15(14)17/h6-7,10,12,14-15,17H,3-5,8-9,11H2,1-2H3
InChIKeySOQRERJMRTWSJZ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.30
Rot. Bonds4

About 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol (PubChem CID 79486270) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
PubChem CID79486270
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
SMILESCC(Cc1cccs1)N(C)C1CCCCCC1O
InChIInChI=1S/C15H25NOS/c1-12(11-13-7-6-10-18-13)16(2)14-8-4-3-5-9-15(14)17/h6-7,10,12,14-15,17H,3-5,8-9,11H2,1-2H3
InChIKeySOQRERJMRTWSJZ-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005241
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one
CID 79486027
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064
3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360
trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734532
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol
CID 102631633
4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79476145

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol?
The IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol (CID 79486270) is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol?
The canonical SMILES for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol is CC(Cc1cccs1)N(C)C1CCCCCC1O.
What is the InChIKey of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol?
The InChIKey is SOQRERJMRTWSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(11-13-7-6-10-18-13)16(2)14-8-4-3-5-9-15(14)17/h6-7,10,12,14-15,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol?
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.30, 4 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-ylpropan-2-yl)amino]cycloheptan-1-ol is sourced from PubChem (CID 79486270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).