(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine

C12H19NS — CID 115890239

IUPAC(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)Cc1cccs1
InChIInChI=1S/C12H19NS/c1-3-4-5-8-13-11(2)10-12-7-6-9-14-12/h3-4,6-7,9,11,13H,5,8,10H2,1-2H3/b4-3+
InChIKeyAYOFJYYCZRMGHN-ONEGZZNKSA-N
MW209.36 g/mol
LogP3.23
Rot. Bonds6

About (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine

(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine (PubChem CID 115890239) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
PubChem CID115890239
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)Cc1cccs1
InChIInChI=1S/C12H19NS/c1-3-4-5-8-13-11(2)10-12-7-6-9-14-12/h3-4,6-7,9,11,13H,5,8,10H2,1-2H3/b4-3+
InChIKeyAYOFJYYCZRMGHN-ONEGZZNKSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine
CID 115890198
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103178999
2-hex-4-enylthiophene
CID 54062491

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine (CID 115890239) is (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine is C/C=C/CCNC(C)Cc1cccs1.
What is the InChIKey of (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine?
The InChIKey is AYOFJYYCZRMGHN-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-4-5-8-13-11(2)10-12-7-6-9-14-12/h3-4,6-7,9,11,13H,5,8,10H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine?
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 115890239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).