3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol

C14H23NOS — CID 113350086

IUPAC3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC(c1cccs1)C1CC1
InChIInChI=1S/C14H23NOS/c1-10(2)12(7-8-16)15-14(11-5-6-11)13-4-3-9-17-13/h3-4,9-12,14-16H,5-8H2,1-2H3
InChIKeyZBSAJTKJIVTGJO-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.20
Rot. Bonds7

About 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol

3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol (PubChem CID 113350086) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
PubChem CID113350086
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC(c1cccs1)C1CC1
InChIInChI=1S/C14H23NOS/c1-10(2)12(7-8-16)15-14(11-5-6-11)13-4-3-9-17-13/h3-4,9-12,14-16H,5-8H2,1-2H3
InChIKeyZBSAJTKJIVTGJO-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
3-(1,2-dithiophen-2-ylethylamino)-4-methylpentan-1-ol
CID 103786463
3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54983076
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 62994889
1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 63435762
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
CID 113437878
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 54983114
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
CID 66169808

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol (CID 113350086) is 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol is CC(C)C(CCO)NC(c1cccs1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol?
The InChIKey is ZBSAJTKJIVTGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(2)12(7-8-16)15-14(11-5-6-11)13-4-3-9-17-13/h3-4,9-12,14-16H,5-8H2,1-2H3.
What are the key properties of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol?
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 113350086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).