3-(thiophen-2-ylmethoxymethyl)pentan-3-amine

C11H19NOS — CID 64571428

IUPAC3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCc1cccs1
InChIInChI=1S/C11H19NOS/c1-3-11(12,4-2)9-13-8-10-6-5-7-14-10/h5-7H,3-4,8-9,12H2,1-2H3
InChIKeyKFTKJRAVDRBJKP-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.78
Rot. Bonds6

About 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine

3-(thiophen-2-ylmethoxymethyl)pentan-3-amine (PubChem CID 64571428) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
PubChem CID64571428
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCc1cccs1
InChIInChI=1S/C11H19NOS/c1-3-11(12,4-2)9-13-8-10-6-5-7-14-10/h5-7H,3-4,8-9,12H2,1-2H3
InChIKeyKFTKJRAVDRBJKP-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine
CID 64571440
2-(ethoxymethyl)thiophene
CID 12699283
2-(hexoxymethyl)thiophene
CID 57182867
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
2-(methoxymethyl)thiophene
CID 10240820
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808
6-(thiophen-2-ylmethoxy)hexan-3-one
CID 106802084
2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid
CID 114995683
3,3-dimethyl-1-(thiophen-2-ylmethoxy)butan-2-one
CID 62034187
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
2-methyl-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 62354417
2-(3,3-diethoxypropoxymethyl)thiophene
CID 63630148

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine?
The IUPAC name of 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine (CID 64571428) is 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine.
What is the SMILES notation for 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine?
The canonical SMILES for 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine is CCC(N)(CC)COCc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine?
The InChIKey is KFTKJRAVDRBJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-3-11(12,4-2)9-13-8-10-6-5-7-14-10/h5-7H,3-4,8-9,12H2,1-2H3.
What are the key properties of 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine?
3-(thiophen-2-ylmethoxymethyl)pentan-3-amine has a molecular weight of 213.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethoxymethyl)pentan-3-amine is sourced from PubChem (CID 64571428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).