N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine

C12H19NOS — CID 62583502

IUPACN-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
SMILESC=CCNCC(C)OCCc1cccs1
InChIInChI=1S/C12H19NOS/c1-3-7-13-10-11(2)14-8-6-12-5-4-9-15-12/h3-5,9,11,13H,1,6-8,10H2,2H3
InChIKeySWDZMBHOZQDTOA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.47
Rot. Bonds8

About N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine

N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine (PubChem CID 62583502) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
PubChem CID62583502
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
SMILESC=CCNCC(C)OCCc1cccs1
InChIInChI=1S/C12H19NOS/c1-3-7-13-10-11(2)14-8-6-12-5-4-9-15-12/h3-5,9,11,13H,1,6-8,10H2,2H3
InChIKeySWDZMBHOZQDTOA-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate
CID 79275664
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine
CID 62486334
2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62584061
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
N-(thiophen-2-ylmethyl)-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82793135
N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 103228622
1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one
CID 116589779
N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 62584051
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine?
The IUPAC name of N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine (CID 62583502) is N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine is C=CCNCC(C)OCCc1cccs1.
What is the InChIKey of N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine?
The InChIKey is SWDZMBHOZQDTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-7-13-10-11(2)14-8-6-12-5-4-9-15-12/h3-5,9,11,13H,1,6-8,10H2,2H3.
What are the key properties of N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine?
N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine is sourced from PubChem (CID 62583502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).