6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol

C14H23NOS — CID 103737857

IUPAC6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
SMILESOCCCCCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H23NOS/c16-9-4-2-1-3-8-15(14-5-6-14)11-13-7-10-17-12-13/h7,10,12,14,16H,1-6,8-9,11H2
InChIKeyNDUZQGUKTCWAAR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.27
Rot. Bonds9

About 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol

6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol (PubChem CID 103737857) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
PubChem CID103737857
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
SMILESOCCCCCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H23NOS/c16-9-4-2-1-3-8-15(14-5-6-14)11-13-7-10-17-12-13/h7,10,12,14,16H,1-6,8-9,11H2
InChIKeyNDUZQGUKTCWAAR-UHFFFAOYSA-N
XLogP3.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965704
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol?
The IUPAC name of 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol (CID 103737857) is 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol?
The canonical SMILES for 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol is OCCCCCCN(Cc1ccsc1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol?
The InChIKey is NDUZQGUKTCWAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c16-9-4-2-1-3-8-15(14-5-6-14)11-13-7-10-17-12-13/h7,10,12,14,16H,1-6,8-9,11H2.
What are the key properties of 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol?
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol is sourced from PubChem (CID 103737857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).