(Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine

C17H23NS — CID 70834312

IUPAC(Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine
SMILESC[C@@H](NC/C=C\C(C)(C)C)c1csc2ccccc12
InChIInChI=1S/C17H23NS/c1-13(18-11-7-10-17(2,3)4)15-12-19-16-9-6-5-8-14(15)16/h5-10,12-13,18H,11H2,1-4H3/b10-7-/t13-/m1/s1
InChIKeyFYBGICXCCLEQDY-PGJNLMOESA-N
MW273.44 g/mol
LogP5.15
Rot. Bonds4

About (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine

(Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine (PubChem CID 70834312) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine
PubChem CID70834312
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name(Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine
SMILESC[C@@H](NC/C=C\C(C)(C)C)c1csc2ccccc12
InChIInChI=1S/C17H23NS/c1-13(18-11-7-10-17(2,3)4)15-12-19-16-9-6-5-8-14(15)16/h5-10,12-13,18H,11H2,1-4H3/b10-7-/t13-/m1/s1
InChIKeyFYBGICXCCLEQDY-PGJNLMOESA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine with MolForge

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Related Compounds

(E)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-6,6-dimethylhept-2-en-4-yn-1-amine
CID 25002514
(Z)-N-[1-(1-benzothiophen-3-yl)ethyl]-6,6-dimethylhept-2-en-4-yn-1-amine;(E)-N-[1-(1-benzothiophen-3-yl)ethyl]-6,6-dimethylhept-2-en-4-yn-1-amine
CID 143626021
N-[1-(1-benzothiophen-3-yl)ethyl]prop-2-enamide
CID 139021172
1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine
CID 105001023
(1R)-1-(1-benzothiophen-3-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine
CID 97031531
N-[1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-2-ylpropan-1-amine
CID 68818161
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153
N'-[1-(1-benzothiophen-3-yl)ethyl]-N-quinolin-2-ylpropane-1,3-diamine
CID 90710081
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 43492293
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
CID 63833767

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine?
The IUPAC name of (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine (CID 70834312) is (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine.
What is the SMILES notation for (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine?
The canonical SMILES for (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine is C[C@@H](NC/C=C\C(C)(C)C)c1csc2ccccc12.
What is the InChIKey of (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine?
The InChIKey is FYBGICXCCLEQDY-PGJNLMOESA-N. The full InChI is InChI=1S/C17H23NS/c1-13(18-11-7-10-17(2,3)4)15-12-19-16-9-6-5-8-14(15)16/h5-10,12-13,18H,11H2,1-4H3/b10-7-/t13-/m1/s1.
What are the key properties of (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine?
(Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine has a molecular weight of 273.44 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine is sourced from PubChem (CID 70834312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).