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

C13H21NOS — CID 66091284

IUPAC4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(c1cccs1)C1CC1
InChIInChI=1S/C13H21NOS/c1-10(6-7-15)9-14-13(11-4-5-11)12-3-2-8-16-12/h2-3,8,10-11,13-15H,4-7,9H2,1H3
InChIKeyDQWIJSGXRYGDGS-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.81
Rot. Bonds7

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

4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol (PubChem CID 66091284) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
PubChem CID66091284
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(c1cccs1)C1CC1
InChIInChI=1S/C13H21NOS/c1-10(6-7-15)9-14-13(11-4-5-11)12-3-2-8-16-12/h2-3,8,10-11,13-15H,4-7,9H2,1H3
InChIKeyDQWIJSGXRYGDGS-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981496
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 113350086
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
CID 66169808
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584966
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
CID 103911516
N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 43767528
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
CID 65108397
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol (CID 66091284) is 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol is CC(CCO)CNC(c1cccs1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol?
The InChIKey is DQWIJSGXRYGDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(6-7-15)9-14-13(11-4-5-11)12-3-2-8-16-12/h2-3,8,10-11,13-15H,4-7,9H2,1H3.
What are the key properties of 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol?
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 66091284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).