N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine

C12H21NOS — CID 115000398

IUPACN-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine
SMILESCC(C)NCCC(C)OCc1cccs1
InChIInChI=1S/C12H21NOS/c1-10(2)13-7-6-11(3)14-9-12-5-4-8-15-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeyUJWPRUWSPODGSN-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.04
Rot. Bonds7

About N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine

N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine (PubChem CID 115000398) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine
PubChem CID115000398
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine
SMILESCC(C)NCCC(C)OCc1cccs1
InChIInChI=1S/C12H21NOS/c1-10(2)13-7-6-11(3)14-9-12-5-4-8-15-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeyUJWPRUWSPODGSN-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thiophen-2-ylmethoxy)butan-1-amine
CID 114995869
3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 81018951
4-(thiophen-2-ylmethoxy)pentanoic acid
CID 62215052
3-(thiophen-2-ylmethoxy)butanenitrile
CID 114995813
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 62584051
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752
3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide
CID 63568785
2-(methoxymethyl)thiophene
CID 10240820
N-[2-[1-(2-thiophen-2-ylethoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273984

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine?
The IUPAC name of N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine (CID 115000398) is N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine is CC(C)NCCC(C)OCc1cccs1.
What is the InChIKey of N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine?
The InChIKey is UJWPRUWSPODGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(2)13-7-6-11(3)14-9-12-5-4-8-15-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3.
What are the key properties of N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine?
N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine is sourced from PubChem (CID 115000398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).