3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol

C14H23NOS — CID 65108397

IUPAC3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(c1cccs1)C1CC1
InChIInChI=1S/C14H23NOS/c1-3-14(16,4-2)10-15-13(11-7-8-11)12-6-5-9-17-12/h5-6,9,11,13,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyYYDPXEUVIQZPOF-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.34
Rot. Bonds7

About 3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol

3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol (PubChem CID 65108397) 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]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
PubChem CID65108397
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(c1cccs1)C1CC1
InChIInChI=1S/C14H23NOS/c1-3-14(16,4-2)10-15-13(11-7-8-11)12-6-5-9-17-12/h5-6,9,11,13,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyYYDPXEUVIQZPOF-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol with MolForge

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Related Compounds

3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
CID 66169808
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 115898683
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
N-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
CID 113220254
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981496

Frequently Asked Questions

What is the IUPAC name of 3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol (CID 65108397) is 3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNC(c1cccs1)C1CC1.
What is the InChIKey of 3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol?
The InChIKey is YYDPXEUVIQZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-14(16,4-2)10-15-13(11-7-8-11)12-6-5-9-17-12/h5-6,9,11,13,15-16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol?
3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol has a molecular weight of 253.41 g/mol, XLogP of 3.34, 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]methyl]pentan-3-ol is sourced from PubChem (CID 65108397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).